Summary

IMPPAT Phytochemical identifier: IMPHY004059

Phytochemical name: Normacusine B

Synonymous chemical names:
normacusine b

External chemical identifiers:
CID:10469722

---

Chemical structure information

SMILES:
C/C=C/1CN2[C@@H]3C([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)CO

InChI:
InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15?,17-,18-/m0/s1

InChIKey:
VXTDUGOBAOLMED-JBIYAAMQSA-N

DeepSMILES:
C/C=CCN[C@@H]C[C@H]6C[C@H]6ccC8)cc[nH]5)cccc6)))))))))))CO

Functional groups:
C/C=C(C)C, CN(C)C, CO, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2C3Cc4c([nH]c5ccccc45)C2CC1C3

Scaffold Graph/Node level:
CC1CN2C3CC1CC2C1NC2CCCCC2C1C3

Scaffold Graph level:
CC1CC2C3CC1CC2C1CC2CCCCC2C1C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Macroline alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.152

---

Chemical structure download