Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015873

Phytochemical name: Sophoraisoflavanone A

Synonymous chemical names:
Sophoraisoflavanone A, sophoraisoflavanone a

External chemical identifiers:
CID:CID_442822

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Chemical structure information

SMILES:
COc1c(ccc(c1CC=C(C)C)O)C1COc2c(C1=O)c(O)cc(c2)O

InChI:
InChI=1S/C21H22O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,22-24H,5,10H2,1-3H3

InChIKey:
AALISTBXLBQUEH-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC=CC)C)))))O))))CCOccC6=O))cO)ccc6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OCC1c1ccccc1

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: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones, Isoflavones

NP-Likeness score: 2.171

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Chemical structure download