Summary

IMPPAT Phytochemical identifier: IMPHY000007

Phytochemical name: Erythrartine

Synonymous chemical names:
11-hydroxy erysotrine, erythrartine

External chemical identifiers:
CID:11336443, ZINC:ZINC000085730803, MolPort-035-705-692

---

Chemical structure information

SMILES:
CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1[C@H](C3)O)OC

InChI:
InChI=1S/C19H23NO4/c1-22-13-5-4-12-6-7-20-11-16(21)14-8-17(23-2)18(24-3)9-15(14)19(12,20)10-13/h4-6,8-9,13,16,21H,7,10-11H2,1-3H3/t13?,16-,19-/m0/s1

InChIKey:
QWWCVLZNFFVFTR-AKXHCULNSA-N

DeepSMILES:
CO[C@H]C=CC=CCN[C@]5C9)cccOC))ccc6[C@H]C%10)O))))OC

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCN3CCc4ccccc4C23CC1

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

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 2.672

---

Chemical structure download