Summary

IMPPAT Phytochemical identifier: IMPHY014466

Phytochemical name: 1,7-Bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one

Synonymous chemical names:
1,7-bis-(4-hydroxyphenyl)-1,4,6-heptatrien-3-one

External chemical identifiers:
CID:71346280

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Chemical structure information

SMILES:
O=C(C=Cc1ccc(cc1)O)C=CC=Cc1ccc(cc1)O

InChI:
InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H

InChIKey:
PALMCMYYFAHUGA-UHFFFAOYSA-N

DeepSMILES:
O=CC=Ccccccc6))O)))))))C=CC=Ccccccc6))O

Functional groups:
cC=CC=CC(=O)C=Cc, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=CC=Cc1ccccc1)C=Cc1ccccc1

Scaffold Graph/Node level:
OC(CCCCC1CCCCC1)CCC1CCCCC1

Scaffold Graph level:
CC(CCCCC1CCCCC1)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Diarylheptanoids

ClassyFire Subclass: Linear diarylheptanoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diarylheptanoids

NP Classifier Class: Linear diarylheptanoids

NP-Likeness score: 0.747

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Chemical structure download