Summary

IMPPAT Phytochemical identifier: IMPHY004591

Phytochemical name: 7-O-allylapigenin

Synonymous chemical names:
acyl apigenol

External chemical identifiers:
CID:50992828

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Chemical structure information

SMILES:
C=CCOc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O

InChI:
InChI=1S/C18H14O5/c1-2-7-22-13-8-14(20)18-15(21)10-16(23-17(18)9-13)11-3-5-12(19)6-4-11/h2-6,8-10,19-20H,1,7H2

InChIKey:
XLZBNGYOXNGYIN-UHFFFAOYSA-N

DeepSMILES:
C=CCOcccO)ccc6)occc6=O)))cccccc6))O

Functional groups:
C=CC, 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: Flavones

NP-Likeness score: 0.968

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Chemical structure download