Summary

IMPPAT Phytochemical identifier: IMPHY005849

Phytochemical name: Lucernol

Synonymous chemical names:
lucernol

External chemical identifiers:
CID:5748586, ChEBI:171702

---

Chemical structure information

SMILES:
Oc1ccc2c(c1)oc1c2c(=O)oc2c1cc(O)c(c2)O

InChI:
InChI=1S/C15H8O6/c16-6-1-2-7-11(3-6)20-14-8-4-9(17)10(18)5-12(8)21-15(19)13(7)14/h1-5,16-18H

InChIKey:
CJPXZAMCIOOMNF-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occ5c=O)occ6ccO)cc6)O

Functional groups:
c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2c2oc3ccccc3c12

Scaffold Graph/Node level:
OC1OC2CCCCC2C2OC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CC3CCCCC3C12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Coumestans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumestan

NP-Likeness score: 1.318

---

Chemical structure download