Summary

IMPPAT Phytochemical identifier: IMPHY001928

Phytochemical name: 2-(3,5-Dihydroxyphenyl)-1-(4-hydroxyphenyl)ethanone

Synonymous chemical names:
belamphenone

External chemical identifiers:
CID:11817393, ChEMBL:CHEMBL526549, ZINC:ZINC000036457154

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Chemical structure information

SMILES:
Oc1ccc(cc1)C(=O)Cc1cc(O)cc(c1)O

InChI:
InChI=1S/C14H12O4/c15-11-3-1-10(2-4-11)14(18)7-9-5-12(16)8-13(17)6-9/h1-6,8,15-17H,7H2

InChIKey:
OQYZHGAYVSAUQG-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))C=O)CcccO)ccc6)O

Functional groups:
cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.417

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Chemical structure download