Summary

IMPPAT Phytochemical identifier: IMPHY003300

Phytochemical name: Desmosflavone

Synonymous chemical names:
desmosflavone

External chemical identifiers:
CID:369598, ChEMBL:CHEMBL51162, ChEBI:137835

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Chemical structure information

SMILES:
COc1c(C)c2oc(cc(=O)c2c(c1C)O)c1ccccc1

InChI:
InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3

InChIKey:
PQZXFPBMXPGZMO-UHFFFAOYSA-N

DeepSMILES:
COccC)coccc=O)c6cc%10C))O)))))cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.36

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Chemical structure download