Summary

IMPPAT Phytochemical identifier: IMPHY000488

Phytochemical name: Apigenin-7-lactate

Synonymous chemical names:
apigenin-7-lactate

Chemical structure information

SMILES:
O=C(C(O)C)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O

InChI:
InChI=1S/C18H14O7/c1-9(19)18(23)24-12-6-13(21)17-14(22)8-15(25-16(17)7-12)10-2-4-11(20)5-3-10/h2-9,19-21H,1H3

InChIKey:
HATNSSGJRODWED-UHFFFAOYSA-N

DeepSMILES:
O=CCO)C))OcccO)ccc6)occc6=O)))cccccc6))O

Functional groups:
CO, c=O, cO, cOC(C)=O, 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: 0.918

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Chemical structure download