Summary

IMPPAT Phytochemical identifier: IMPHY008186

Phytochemical name: Lupinisoflavone B

Synonymous chemical names:
(r)-lupinisoflavone b, lupinisoflavone b

External chemical identifiers:
CID:632835

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)c1coc2c(c1=O)c(O)c1c(c2)OC(C1)C(O)(C)C

InChI:
InChI=1S/C20H18O7/c1-20(2,25)16-6-11-14(27-16)7-15-17(18(11)23)19(24)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-23,25H,6H2,1-2H3

InChIKey:
MPYLJLHMKWTFTC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))ccoccc6=O))cO)ccc6)OCC5)CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2cc3c(cc12)CCO3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CC3OCCC3CC21

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2CC3CCCC3CC21

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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: 2.447

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Chemical structure download