Summary

IMPPAT Phytochemical identifier: IMPHY010694

Phytochemical name: Erythrinasinate

Synonymous chemical names:
erythrinasinate

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)O)OC

InChI:
InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-37(41-2)36(39)34-35/h29-32,34,39H,3-28,33H2,1-2H3/b32-30+

InChIKey:
XEOWPOLWKNHXGL-NHQGMKOOSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)/C=C/cccccc6)O))OC

Functional groups:
c/C=C/C(=O)OC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP-Likeness score: 0.356

---

Chemical structure download