Summary

IMPPAT Phytochemical identifier: IMPHY000999

Phytochemical name: Erythratidine

Synonymous chemical names:
erythratidine

External chemical identifiers:
CID:442220, ChEBI:4839

---

Chemical structure information

SMILES:
CO[C@@H]1C[C@]23N(CCC2=C[C@@H]1O)CCc1c3cc(OC)c(c1)OC

InChI:
InChI=1S/C19H25NO4/c1-22-16-8-12-4-6-20-7-5-13-9-15(21)18(24-3)11-19(13,20)14(12)10-17(16)23-2/h8-10,15,18,21H,4-7,11H2,1-3H3/t15-,18?,19-/m0/s1

InChIKey:
YUWBVDCNLWYPIU-GZMMRYBBSA-N

DeepSMILES:
CO[C@@H]C[C@]NCCC5=C[C@@H]9O))))))CCcc6ccOC))cc6)OC

Functional groups:
CC(C)=CC, CN(C)C, CO, COC, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3CCc4ccccc4C23CCC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCN1CCC3CCCCC321

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCCC312

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Erythrina alkaloids

ClassyFire Subclass: Erythrinanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Tyrosine alkaloids

NP Classifier Class: Homoerythrina alkaloids, Indolizidine alkaloids

NP-Likeness score: 2.156

---

Chemical structure download