Summary

IMPPAT Phytochemical identifier: IMPHY002794

Phytochemical name: Lupinisoflavone M

Synonymous chemical names:
lupinisoflavone m

External chemical identifiers:
CID:14728998

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Chemical structure information

SMILES:
Oc1cc2occ(c(=O)c2c(c1CC(C(O)(C)C)O)O)c1ccc2c(c1)CC(O2)C(O)(C)C

InChI:
InChI=1S/C25H28O8/c1-24(2,30)19(27)9-14-16(26)10-18-21(22(14)28)23(29)15(11-32-18)12-5-6-17-13(7-12)8-20(33-17)25(3,4)31/h5-7,10-11,19-20,26-28,30-31H,8-9H2,1-4H3

InChIKey:
IXEGNYHOJYAEHW-UHFFFAOYSA-N

DeepSMILES:
Occcoccc=O)c6cc%10CCCO)C)C))O))))O))))cccccc6)CCO5)CO)C)C

Functional groups:
CO, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)CCO3)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCC3OCCC3C2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCC2CCCC2C1

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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: 2.088

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Chemical structure download