Summary

IMPPAT Phytochemical identifier: IMPHY003276

Phytochemical name: (2-Hydroxy-4,6-dimethoxyphenyl)-phenylmethanone

Synonymous chemical names:
hydrocotylin

External chemical identifiers:
CID:3646534, ZINC:ZINC000002169043, SureChEMBL:SCHEMBL9339191, MolPort-046-864-657

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Chemical structure information

SMILES:
COc1cc(O)c(c(c1)OC)C(=O)c1ccccc1

InChI:
InChI=1S/C15H14O4/c1-18-11-8-12(16)14(13(9-11)19-2)15(17)10-6-4-3-5-7-10/h3-9,16H,1-2H3

InChIKey:
RVXZNIXBABAEQZ-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)OC)))C=O)cccccc6

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

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Molecular scaffolds

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

Scaffold Graph/Node level:
OC(C1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(C1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzophenones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 0.448

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Chemical structure download