Summary

IMPPAT Phytochemical identifier: IMPHY004804

Phytochemical name: Lupinalbin F

Synonymous chemical names:
lupinalbin f

External chemical identifiers:
CID:44260100, ZINC:ZINC000059778197

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(o2)oc2c1ccc(c2CC=C(C)C)O)C

InChI:
InChI=1S/C25H24O6/c1-12(2)5-7-14-18(27)11-19-21(22(14)28)23(29)20-16-9-10-17(26)15(8-6-13(3)4)24(16)31-25(20)30-19/h5-6,9-11,26-28H,7-8H2,1-4H3

InChIKey:
WNJJWUYKQKUQED-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O))c=O)cco6)occ5cccc6CC=CC)C)))))O)))))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2oc3ccccc3c12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2OC3CCCCC3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3C21

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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: Coumaronochromones

NP-Likeness score: 1.877

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Chemical structure download