Summary

IMPPAT Phytochemical identifier: IMPHY003773

Phytochemical name: Lupinisol C

Synonymous chemical names:
lupinisol c

External chemical identifiers:
CID:14237670

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(c(c1O)CC(C(=C)C)O)O)C

InChI:
InChI=1S/C25H26O7/c1-12(2)5-6-15-20(28)10-21-22(24(15)30)25(31)17(11-32-21)14-7-8-18(26)16(23(14)29)9-19(27)13(3)4/h5,7-8,10-11,19,26-30H,3,6,9H2,1-2,4H3

InChIKey:
YGIMNZIIYOGVNP-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6))cccccc6O))CCC=C)C))O))))O))))))))))))))C

Functional groups:
C=C(C)C, CC=C(C)C, CO, c=O, cO, 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: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 2.37

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Chemical structure download