Summary

IMPPAT Phytochemical identifier: IMPHY007446

Phytochemical name: Koenimbine

Synonymous chemical names:
koenimbine

External chemical identifiers:
CID:97487, ChEMBL:CHEMBL2323768, ChEBI:169698, ZINC:ZINC000001715690

---

Chemical structure information

SMILES:
COc1ccc2c(c1)c1cc(C)c3c(c1[nH]2)C=CC(O3)(C)C

InChI:
InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3

InChIKey:
OSERHKINMDLESD-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)cccC)ccc6[nH]9))C=CCO6)C)C

Functional groups:
cC=CC, cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CCCOC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 1.695

---

Chemical structure download