Summary

IMPPAT Phytochemical identifier: IMPHY002016

Phytochemical name: Sideritoflavone

Synonymous chemical names:
sideritiflavone

External chemical identifiers:
CID:155493, ChEMBL:CHEMBL312790, ChEBI:175612, ZINC:ZINC000002561270, MolPort-044-727-171

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Chemical structure information

SMILES:
COc1c(OC)c(OC)c(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O

InChI:
InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(8-4-5-9(19)10(20)6-8)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3

InChIKey:
UWNUJPINKMRKKR-UHFFFAOYSA-N

DeepSMILES:
COccOC))cOC))ccc6occc6=O)))cccccc6)O))O)))))))))O

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: 1.46

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Chemical structure download