Summary

IMPPAT Phytochemical identifier: IMPHY001852

Phytochemical name: Mikanin

Synonymous chemical names:
mikanin

External chemical identifiers:
CID:15560536, ChEMBL:CHEMBL554063

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Chemical structure information

SMILES:
COc1ccc(cc1)c1oc2cc(OC)c(c(c2c(=O)c1O)O)OC

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

InChIKey:
SGCYGSKAUSOJND-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))cocccOC))ccc6c=O)c%10O))))O))OC

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: 1.107

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Chemical structure download