Summary

IMPPAT Phytochemical identifier: IMPHY005863

Phytochemical name: Glisoflavone

Synonymous chemical names:
glisoflavone

External chemical identifiers:
CID:5487298, ChEMBL:CHEMBL1223641, SureChEMBL:SCHEMBL1170926

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Chemical structure information

SMILES:
COc1cc(O)cc2c1c(=O)c(co2)c1cc(O)c(c(c1)CC=C(C)C)O

InChI:
InChI=1S/C21H20O6/c1-11(2)4-5-12-6-13(7-16(23)20(12)24)15-10-27-18-9-14(22)8-17(26-3)19(18)21(15)25/h4,6-10,22-24H,5H2,1-3H3

InChIKey:
PYVPKOSKOWDDSV-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6c=O)cco6))cccO)ccc6)CC=CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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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: Isoflavones

NP-Likeness score: 1.967

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Chemical structure download