Summary

IMPPAT Phytochemical identifier: IMPHY015792

Phytochemical name: Licoagrocarpin

Synonymous chemical names:
licoagrocarpin

External chemical identifiers:
CID:15840593, ChEMBL:CHEMBL2437361, ChEBI:174544, ZINC:ZINC000015115192

---

Chemical structure information

SMILES:
COc1ccc2c(c1)O[C@@H]1[C@H]2COc2c1ccc(c2CC=C(C)C)O

InChI:
InChI=1S/C21H22O4/c1-12(2)4-6-15-18(22)9-8-16-20(15)24-11-17-14-7-5-13(23-3)10-19(14)25-21(16)17/h4-5,7-10,17,21-22H,6,11H2,1-3H3/t17-,21-/m0/s1

InChIKey:
NYWUHXBEDBSRQB-UWJYYQICSA-N

DeepSMILES:
COcccccc6)O[C@@H][C@H]5COcc6cccc6CC=CC)C)))))O

Functional groups:
CC=C(C)C, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 2.237

---

Chemical structure download