Summary

IMPPAT Phytochemical identifier: IMPHY003156

Phytochemical name: 22-Norajmalan-17alpha,21alpha-diol

Synonymous chemical names:
norajmaline

External chemical identifiers:
CID:24893138, ChEBI:7621, ZINC:ZINC000005846869

---

Chemical structure information

SMILES:
CC[C@H]1[C@@H]2C[C@@H]3N([C@@H]1O)[C@@H]1[C@H]2[C@@H](O)[C@]2([C@H]3Nc3c2cccc3)C1

InChI:
InChI=1S/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3/t9-,10-,13-,14-,15-,16-,17+,18+,19+/m0/s1

InChIKey:
HIOAYNMZFIHQNS-DEKAJGEMSA-N

DeepSMILES:
CC[C@H][C@@H]C[C@@H]N[C@@H]6O))[C@@H][C@H]6[C@@H]O)[C@][C@H]7Ncc5cccc6))))))))C5

Functional groups:
CO, C[C@@H](O)N(C)C, cNC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC1C3CC4CCN3C3CC21CC43

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C3CC4CCN3C3CC21CC43

Scaffold Graph level:
C1CCC2C(C1)CC1C3CC4CCC3C3CC21CC43

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Ajmaline-sarpagine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.287

---

Chemical structure download