Summary

IMPPAT Phytochemical identifier: IMPHY005603

Phytochemical name: Tambulin

Synonymous chemical names:
tambulin, tambulin(3,5-dihydroxy-7,8,4'-trimethoxy-flavone)

External chemical identifiers:
CID:5281700, ChEMBL:CHEMBL478811, ChEBI:9395, ZINC:ZINC000006484540, SureChEMBL:SCHEMBL4742083

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Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2c(OC)c(OC)cc(c2c(=O)c1O)O

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

InChIKey:
KAPZSMYEZDLAFB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))coccOC))cOC))ccc6c=O)c%10O))))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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.246

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Chemical structure download