Summary

IMPPAT Phytochemical identifier: IMPHY007101

Phytochemical name: Sophoraflavanone A

Synonymous chemical names:
sophoraflavanone a

External chemical identifiers:
CID:6475921, ChEMBL:CHEMBL490697, ChEBI:70023, ZINC:ZINC000005854068

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Chemical structure information

SMILES:
C/C(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O)/CCC=C(C)C

InChI:
InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-21(28)24-22(29)14-23(30-25(19)24)17-8-10-18(26)11-9-17/h5,7-11,13,23,26-28H,4,6,12,14H2,1-3H3/b16-7+/t23-/m0/s1

InChIKey:
GOAUTULGLLBZSR-YLLUOSTHSA-N

DeepSMILES:
C/C=CCccO)cccc6O[C@@H]CC6=O)))cccccc6))O)))))))))O)))))))/CCC=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.301

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Chemical structure download