Summary

IMPPAT Phytochemical identifier: IMPHY002792

Phytochemical name: Lupinisoflavone K

Synonymous chemical names:
lupinisoflavone k

External chemical identifiers:
CID:14728996

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Chemical structure information

SMILES:
Oc1c2C=CC(Oc2ccc1c1coc2c(c1=O)c(O)c1c(c2)OC(C1)C(O)(C)C)(C)C

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

InChIKey:
SSGWBHWZUDKMNN-UHFFFAOYSA-N

DeepSMILES:
OccC=CCOc6ccc%10ccoccc6=O))cO)ccc6)OCC5)CO)C)C)))))))))))))))))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)C=CCO3)coc2cc3c(cc12)CCO3

Scaffold Graph/Node level:
OC1C(C2CCC3OCCCC3C2)COC2CC3OCCC3CC21

Scaffold Graph level:
CC1C(C2CCC3CCCCC3C2)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: 2.838

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Chemical structure download