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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (267)
Coumarins and derivatives (263)
Flavonoids (174)
Phenylpropanoic acids (166)
Linear 1 3-diarylpropanoids (140)
Depsides and depsidones (69)
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Cinnamaldehydes (42)
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Neoflavonoids (2)
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1 – 15 of 679 results
1

(-)-Epigallocatechin

CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

PubChem CID 72277
CAS 970-74-1
Molecular Weight (g/mol) 306.27
ChEBI CHEBI:42255
MDL Number MFCD00075939
SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Synonym --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol
IUPAC Name (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI Key XMOCLSLCDHWDHP-IUODEOHRSA-N
Molecular Formula C15H14O7
2

3-Hydroxyflavone, 98+%

CAS: 577-85-5 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.24 MDL Number: MFCD00006832 InChI Key: HVQAJTFOCKOKIN-UHFFFAOYSA-N Synonym: 3-hydroxyflavone,flavonol,3-hydroxy-2-phenyl-4h-chromen-4-one,flavon-3-ol,4h-1-benzopyran-4-one, 3-hydroxy-2-phenyl,flavone, 3-hydroxy,3-hydroxy-2-phenylchromone,unii-ztg9lss5qh,flavone,3-hydroxy,3-hf PubChem CID: 11349 ChEBI: CHEBI:5078 IUPAC Name: 3-hydroxy-2-phenylchromen-4-one SMILES: OC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1

PubChem CID 11349
CAS 577-85-5
Molecular Weight (g/mol) 238.24
ChEBI CHEBI:5078
MDL Number MFCD00006832
SMILES OC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1
Synonym 3-hydroxyflavone,flavonol,3-hydroxy-2-phenyl-4h-chromen-4-one,flavon-3-ol,4h-1-benzopyran-4-one, 3-hydroxy-2-phenyl,flavone, 3-hydroxy,3-hydroxy-2-phenylchromone,unii-ztg9lss5qh,flavone,3-hydroxy,3-hf
IUPAC Name 3-hydroxy-2-phenylchromen-4-one
InChI Key HVQAJTFOCKOKIN-UHFFFAOYSA-N
Molecular Formula C15H10O3
3

6-Hydroxyflavone, 98%

CAS: 6665-83-4 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.242 MDL Number: MFCD00017329 InChI Key: GPZYYYGYCRFPBU-UHFFFAOYSA-N Synonym: 6-hydroxyflavone,6-monohydroxyflavone,6-hydroxy-2-phenyl-4-benzopyrone,6-hydroxy-2-phenyl-chromen-4-one,6-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 6-hydroxy-2-phenyl,6-hydroxy-flavone,6-hydroxy flavone,6-hydroxyflavone, 10 PubChem CID: 72279 ChEBI: CHEBI:34472 IUPAC Name: 6-hydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O

PubChem CID 72279
CAS 6665-83-4
Molecular Weight (g/mol) 238.242
ChEBI CHEBI:34472
MDL Number MFCD00017329
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O
Synonym 6-hydroxyflavone,6-monohydroxyflavone,6-hydroxy-2-phenyl-4-benzopyrone,6-hydroxy-2-phenyl-chromen-4-one,6-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 6-hydroxy-2-phenyl,6-hydroxy-flavone,6-hydroxy flavone,6-hydroxyflavone, 10
IUPAC Name 6-hydroxy-2-phenylchromen-4-one
InChI Key GPZYYYGYCRFPBU-UHFFFAOYSA-N
Molecular Formula C15H10O3
4

alpha-Methylcinnamaldehyde, predominantly (E), 97%

CAS: 101-39-3 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00006976 InChI Key: VLUMOWNVWOXZAU-CLFYSBASSA-N Synonym: alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde PubChem CID: 5372813 SMILES: C\C(C=O)=C\C1=CC=CC=C1

PubChem CID 5372813
CAS 101-39-3
Molecular Weight (g/mol) 146.19
MDL Number MFCD00006976
SMILES C\C(C=O)=C\C1=CC=CC=C1
Synonym alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde
InChI Key VLUMOWNVWOXZAU-CLFYSBASSA-N
Molecular Formula C10H10O
5

Naringin

CAS: 10236-47-2 Molecular Formula: C27H32O14 Molecular Weight (g/mol): 580.54 MDL Number: MFCD00148888,MFCD00149445,MFCD01461988 InChI Key: DFPMSGMNTNDNHN-ZPHOTFPESA-N Synonym: 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside PubChem CID: 74787988 IUPAC Name: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

PubChem CID 74787988
CAS 10236-47-2
Molecular Weight (g/mol) 580.54
MDL Number MFCD00148888,MFCD00149445,MFCD01461988
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
Synonym 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside
IUPAC Name 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molecular Formula C27H32O14
6

5,6,7-Trihydroxyflavone, 97%

CAS: 491-67-8 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017459 InChI Key: FXNFHKRTJBSTCS-UHFFFAOYSA-N Synonym: baicalein,5,6,7-trihydroxyflavone,noroxylin,5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one,biacalein,baicelein,chembl8260,4h-1-benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl,5,7-trihydroxyflavone,5,6,7-trihydroxy-2-phenyl-chromen-4-one PubChem CID: 5281605 ChEBI: CHEBI:2979 IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one SMILES: OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

PubChem CID 5281605
CAS 491-67-8
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:2979
MDL Number MFCD00017459
SMILES OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
Synonym baicalein,5,6,7-trihydroxyflavone,noroxylin,5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one,biacalein,baicelein,chembl8260,4h-1-benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl,5,7-trihydroxyflavone,5,6,7-trihydroxy-2-phenyl-chromen-4-one
IUPAC Name 5,6,7-trihydroxy-2-phenylchromen-4-one
InChI Key FXNFHKRTJBSTCS-UHFFFAOYSA-N
Molecular Formula C15H10O5
7

4',5-Dihydroxy-7-methoxyflavone, 97%

CAS: 437-64-9 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 MDL Number: MFCD00017452 InChI Key: JPMYFOBNRRGFNO-UHFFFAOYSA-N Synonym: genkwanin,gengkwanin,4',5-dihydroxy-7-methoxyflavone,5,4'-dihydroxy-7-methoxyflavone,7-o-methylapigenin,7-methylapigenin,apigenin 7-methyl ether,puddumetin,gonkwanin,unii-5k3i5d6b2b PubChem CID: 5281617 ChEBI: CHEBI:75718 IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O

PubChem CID 5281617
CAS 437-64-9
Molecular Weight (g/mol) 284.267
ChEBI CHEBI:75718
MDL Number MFCD00017452
SMILES COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Synonym genkwanin,gengkwanin,4',5-dihydroxy-7-methoxyflavone,5,4'-dihydroxy-7-methoxyflavone,7-o-methylapigenin,7-methylapigenin,apigenin 7-methyl ether,puddumetin,gonkwanin,unii-5k3i5d6b2b
IUPAC Name 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
InChI Key JPMYFOBNRRGFNO-UHFFFAOYSA-N
Molecular Formula C16H12O5
8

Nujol, for IR spectroscopy

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

PubChem CID 68245
CAS 8012-95-1
Molecular Weight (g/mol) 0.00
ChEBI CHEBI:38701
MDL Number MFCD00131611
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula MFCD00131611
9

4-Chloro-3-nitrocinnamic acid, 98%

CAS: 20797-48-2 Molecular Formula: C9H6ClNO4 Molecular Weight (g/mol): 227.6 MDL Number: MFCD00063311 InChI Key: QBDALTIMHOITIU-DUXPYHPUSA-N Synonym: 4-chloro-3-nitrocinnamic acid,trans-4-chloro-3-nitrocinnamic acid,3-4-chloro-3-nitrophenyl acrylic acid,e-3-4-chloro-3-nitrophenyl acrylic acid,2e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,4-chloro-3-nitro-cinnamic acid,3-nitro-4-chlorocinnamic acid,qbdaltimhoitiu-duxpyhpusa,3-4-chloro-3-nitrophenyl propenoic acid PubChem CID: 688108 SMILES: C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl

PubChem CID 688108
CAS 20797-48-2
Molecular Weight (g/mol) 227.6
MDL Number MFCD00063311
SMILES C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrocinnamic acid,trans-4-chloro-3-nitrocinnamic acid,3-4-chloro-3-nitrophenyl acrylic acid,e-3-4-chloro-3-nitrophenyl acrylic acid,2e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,4-chloro-3-nitro-cinnamic acid,3-nitro-4-chlorocinnamic acid,qbdaltimhoitiu-duxpyhpusa,3-4-chloro-3-nitrophenyl propenoic acid
InChI Key QBDALTIMHOITIU-DUXPYHPUSA-N
Molecular Formula C9H6ClNO4
10

4-Hydroxy-3,5-dimethoxycinnamic acid, 98%

CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.212 MDL Number: MFCD00004401 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O

PubChem CID 637775
CAS 530-59-6
Molecular Weight (g/mol) 224.212
ChEBI CHEBI:15714
MDL Number MFCD00004401
SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)O
Synonym sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec
IUPAC Name (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
InChI Key PCMORTLOPMLEFB-ONEGZZNKSA-N
Molecular Formula C11H12O5
11

4-Methoxycinnamic acid, 99%

CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 699414
CAS 830-09-1
Molecular Weight (g/mol) 178.187
MDL Number MFCD00004398
SMILES COC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
12

3-Methylcinnamic acid, 98%, Thermo Scientific™

CAS: 3029-79-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016844 InChI Key: JZINNAKNHHQBOS-AATRIKPKSA-N Synonym: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e PubChem CID: 2063448 ChEBI: CHEBI:61118 IUPAC Name: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O

PubChem CID 2063448
CAS 3029-79-6
Molecular Weight (g/mol) 162.19
ChEBI CHEBI:61118
MDL Number MFCD00016844
SMILES CC1=CC=CC(=C1)C=CC(=O)O
Synonym 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e
IUPAC Name (E)-3-(3-methylphenyl)prop-2-enoic acid
InChI Key JZINNAKNHHQBOS-AATRIKPKSA-N
Molecular Formula C10H10O2
13

trans-2-Methoxycinnamic acid, 98+%

CAS: 1011-54-7 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00064238 InChI Key: FEGVSPGUHMGGBO-VOTSOKGWSA-N Synonym: 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid PubChem CID: 734154 IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O

PubChem CID 734154
CAS 1011-54-7
Molecular Weight (g/mol) 178.187
MDL Number MFCD00064238
SMILES COC1=CC=CC=C1C=CC(=O)O
Synonym 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid
IUPAC Name (E)-3-(2-methoxyphenyl)prop-2-enoic acid
InChI Key FEGVSPGUHMGGBO-VOTSOKGWSA-N
Molecular Formula C10H10O3
14

Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002213 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
MDL Number MFCD00002213
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
15

5Z-7-Oxozeaenol

CAS: 66018-38-0 Molecular Formula: C19H22O7 Molecular Weight (g/mol): 362.378 MDL Number: MFCD12912700 InChI Key: NEQZWEXWOFPKOT-UHFFFAOYSA-N Synonym: 8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione PubChem CID: 53442201 IUPAC Name: 5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione SMILES: CC1CC=CC(=O)C(C(CC=CC2=CC(=CC(=C2C(=O)O1)O)OC)O)O

PubChem CID 53442201
CAS 66018-38-0
Molecular Weight (g/mol) 362.378
MDL Number MFCD12912700
SMILES CC1CC=CC(=O)C(C(CC=CC2=CC(=CC(=C2C(=O)O1)O)OC)O)O
Synonym 8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione
IUPAC Name 5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione
InChI Key NEQZWEXWOFPKOT-UHFFFAOYSA-N
Molecular Formula C19H22O7