Summary

IMPPAT Phytochemical identifier: IMPHY009341

Phytochemical name: Artocarpetin

Synonymous chemical names:
artocarpetin

External chemical identifiers:
CID:12308618, ChEMBL:CHEMBL460552, SureChEMBL:SCHEMBL676337

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1O)O

InChI:
InChI=1S/C16H12O6/c1-21-9-5-12(19)16-13(20)7-14(22-15(16)6-9)10-3-2-8(17)4-11(10)18/h2-7,17-19H,1H3

InChIKey:
VOCATNAJXJSCLN-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))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: 1.297

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Chemical structure download