Summary

IMPPAT Phytochemical identifier: IMPHY012976

Phytochemical name: Sophoraflavone G

Synonymous chemical names:
sophoraflavone g

External chemical identifiers:
CID:9910234, ChEMBL:CHEMBL479477, SureChEMBL:SCHEMBL17626648

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Chemical structure information

SMILES:
CC(=CCC(C(=C)C)Cc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1O)O)O)C

InChI:
InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15?,23-/m0/s1

InChIKey:
XRYVAQQLDYTHCL-GMTBNIFVSA-N

DeepSMILES:
CC=CCCC=C)C))CccO)cccc6O[C@@H]CC6=O)))cccccc6O)))O)))))))))O)))))))))C

Functional groups:
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: 2.613

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Chemical structure download