Summary

IMPPAT Phytochemical identifier: IMPHY000012

Phytochemical name: Iriflophenone

Synonymous chemical names:
iriflophenone

External chemical identifiers:
CID:11311158, ChEMBL:CHEMBL443689, ZINC:ZINC000014725518, SureChEMBL:SCHEMBL9148205, MolPort-035-706-140

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Chemical structure information

SMILES:
Oc1ccc(cc1)C(=O)c1c(O)cc(cc1O)O

InChI:
InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H

InChIKey:
AOJWDTJDEGSHOA-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))C=O)ccO)cccc6O)))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: 0.717

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Chemical structure download