Summary

IMPPAT Phytochemical identifier: IMPHY013296

Phytochemical name: 2,4,6,3',5'-Pentahydroxybenzophenone

Synonymous chemical names:
2,4,6,3',5'-pentahydroxybenzophenone

External chemical identifiers:
CID:19910294, ChEMBL:CHEMBL1256380, ZINC:ZINC000014639708, SureChEMBL:SCHEMBL9639010

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Chemical structure information

SMILES:
Oc1cc(O)c(c(c1)O)C(=O)c1cc(O)cc(c1)O

InChI:
InChI=1S/C13H10O6/c14-7-1-6(2-8(15)3-7)13(19)12-10(17)4-9(16)5-11(12)18/h1-5,14-18H

InChIKey:
UQRUMZDBXRBEPM-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)O))C=O)cccO)ccc6)O

Functional groups:
cC(c)=O, cO

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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: 0.843

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Chemical structure download