Summary

IMPPAT Phytochemical identifier: IMPHY002956

Phytochemical name: Muningin

Synonymous chemical names:
muningin

External chemical identifiers:
CID:252471, ChEMBL:CHEMBL484038

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Chemical structure information

SMILES:
COc1c(O)c(OC)cc2c1c(=O)c(co2)c1ccc(cc1)O

InChI:
InChI=1S/C17H14O6/c1-21-13-7-12-14(17(22-2)16(13)20)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

InChIKey:
KVSCSPAYYVSPTI-UHFFFAOYSA-N

DeepSMILES:
COccO)cOC))ccc6c=O)cco6))cccccc6))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.348

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Chemical structure download