Summary

IMPPAT Phytochemical identifier: IMPHY006058

Phytochemical name: Xanthomicrol

Synonymous chemical names:
4'5-dihydroxy-6,7,8-trimethoxyflavone, xanthomicrol

External chemical identifiers:
CID:73207, ChEMBL:CHEMBL476121, ChEBI:35047, FDASRS:3IN82Y8CAA, SureChEMBL:SCHEMBL6257160, MolPort-001-742-112

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Chemical structure information

SMILES:
COc1c(OC)c(OC)c(c2c1oc(cc2=O)c1ccc(cc1)O)O

InChI:
InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3

InChIKey:
SAMBWAJRKKEEOR-UHFFFAOYSA-N

DeepSMILES:
COccOC))cOC))ccc6occc6=O)))cccccc6))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: 1.347

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Chemical structure download