Summary

IMPPAT Phytochemical identifier: IMPHY008954

Phytochemical name: Vulgarol

Synonymous chemical names:
vulgarol

Chemical structure information

SMILES:
OC1=C(c2ccccc2)C(=O)C(=C(C1=O)c1ccccc1)O

InChI:
InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H

InChIKey:
HZKFHDXTSAYOSN-UHFFFAOYSA-N

DeepSMILES:
OC=Ccccccc6))))))C=O)C=CC6=O))cccccc6)))))))O

Functional groups:
cC1=C(O)C(=O)C(c)=C(O)C1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(c2ccccc2)C(=O)C=C1c1ccccc1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(O)CC1C1CCCCC1

Scaffold Graph level:
CC1CC(C2CCCCC2)C(C)CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Terphenyls

NP Classifier Class: p-Terphenyls

NP-Likeness score: 0.427

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Chemical structure download