Summary

IMPPAT Phytochemical identifier: IMPHY002793

Phytochemical name: Lupinisoflavone L

Synonymous chemical names:
lupinisoflavone l

External chemical identifiers:
CID:14728997

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Chemical structure information

SMILES:
Oc1c2CC(Oc2ccc1c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C)C(O)(C)C

InChI:
InChI=1S/C25H24O7/c1-24(2)8-7-13-17(32-24)10-18-20(22(13)27)23(28)15(11-30-18)12-5-6-16-14(21(12)26)9-19(31-16)25(3,4)29/h5-8,10-11,19,26-27,29H,9H2,1-4H3

InChIKey:
KEWUZAKGUIPPDR-UHFFFAOYSA-N

DeepSMILES:
OccCCOc5ccc9ccoccc6=O))cO)ccc6)OCC=C6))C)C))))))))))))))))CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)CCO3)coc2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C(C2CCC3OCCC3C2)COC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C(C2CCC3CCCC3C2)CCC2CC3CCCCC3CC21

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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: 2.809

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Chemical structure download