Summary

IMPPAT Phytochemical identifier: IMPHY011127

Phytochemical name: Tamadone

Synonymous chemical names:
tamadone

External chemical identifiers:
CID:44258657, ZINC:ZINC000014436607

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Chemical structure information

SMILES:
COc1c(OC)c(OC)c2c(c1O)c(=O)cc(o2)c1ccc(cc1O)O

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

InChIKey:
HAJJOCMWAKZDQM-UHFFFAOYSA-N

DeepSMILES:
COccOC))cOC))ccc6O))c=O)cco6)cccccc6O)))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: 1.512

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Chemical structure download