Summary

IMPPAT Phytochemical identifier: IMPHY008413

Phytochemical name: Lisetin

Synonymous chemical names:
lisetin

External chemical identifiers:
CID:44260098, ZINC:ZINC000059778183

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Chemical structure information

SMILES:
COc1cc2c(c(c1O)CC=C(C)C)oc1c2c(=O)c2c(o1)cc(cc2O)O

InChI:
InChI=1S/C21H18O7/c1-9(2)4-5-11-18(24)15(26-3)8-12-16-19(25)17-13(23)6-10(22)7-14(17)27-21(16)28-20(11)12/h4,6-8,22-24H,5H2,1-3H3

InChIKey:
KOHGMAFQELVQRG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))CC=CC)C)))))occ5c=O)cco6)cccc6O)))O

Functional groups:
CC=C(C)C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2oc3ccccc3c12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2OC3CCCCC3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3C21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumaronochromones

NP-Likeness score: 2.183

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Chemical structure download