Summary

IMPPAT Phytochemical identifier: IMPHY004803

Phytochemical name: Lupinalbin D

Synonymous chemical names:
lupinalbin d

External chemical identifiers:
CID:44260099, ZINC:ZINC000059778187

---

Chemical structure information

SMILES:
CC(=CCc1c(O)ccc2c1oc1c2c(=O)c2c(o1)cc(cc2O)O)C

InChI:
InChI=1S/C20H16O6/c1-9(2)3-4-11-13(22)6-5-12-16-18(24)17-14(23)7-10(21)8-15(17)25-20(16)26-19(11)12/h3,5-8,21-23H,4H2,1-2H3

InChIKey:
LYRCFNWWKHICBC-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6occ5c=O)cco6)cccc6O)))O)))))))))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2oc3ccccc3c12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2OC3CCCCC3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3C21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumaronochromones

NP-Likeness score: 2.149

---

Chemical structure download