Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000588

Phytochemical name: Artemetin

Synonymous chemical names:
Erianthin, 5-hydroxy-3,6,7,3’,4’-pentamethoxyflavone, artemitin, Flavone, 5-hydroxy-3,3',4',6,7-pentame-thoxy, Artemitin, artemisetin, 5-hydroxy-3,6,7,3',4'-pentamethoxy flavone, artemetin, 5-hydroxy-3,3',4',6,7-pentamethoxy flavone (artemetin), 5-hydroxy-3,6,7,3',4'-pentamethoxyflavone, erianthin

External chemical identifiers:
CID:CID_5320351, ChEMBL:CHEMBL225700, ChEBI:CHEBI:175930, ZINC:ZINC000005733763, FDASRS:73KMT7R64H, SureChEMBL:SCHEMBL2122576, MolPort-001-742-702

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Chemical structure information

SMILES:
COc1ccc(cc1OC)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)OC

InChI:
InChI=1S/C20H20O8/c1-23-11-7-6-10(8-12(11)24-2)18-20(27-5)17(22)15-13(28-18)9-14(25-3)19(26-4)16(15)21/h6-9,21H,1-5H3

InChIKey:
RIGYMJVFEJNCKD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))cocccOC))ccc6c=O)c%10OC)))))O))OC

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

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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: Flavonols

NP-Likeness score: 1.03

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Chemical structure download