Summary

IMPPAT Phytochemical identifier: IMPHY001820

Phytochemical name: Hydroxyanigorufone

Synonymous chemical names:
hydroxyanigorufone

External chemical identifiers:
CID:11471752, ChEMBL:CHEMBL1165215, ZINC:ZINC000014504316, SureChEMBL:SCHEMBL20983238

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1ccc2c3c1C(=O)C(=Cc3ccc2)O

InChI:
InChI=1S/C19H12O3/c20-14-7-4-11(5-8-14)15-9-6-12-2-1-3-13-10-16(21)19(22)18(15)17(12)13/h1-10,20-21H

InChIKey:
HTELDEYOMOTOBI-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))cccccc6C=O)C=Cc6ccc%10)))))O

Functional groups:
cC=C(O)C(c)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2cccc3ccc(-c4ccccc4)c1c23

Scaffold Graph/Node level:
OC1CCC2CCCC3CCC(C4CCCCC4)C1C23

Scaffold Graph level:
CC1CCC2CCCC3CCC(C4CCCCC4)C1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Phenylnaphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.085

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Chemical structure download