Summary

IMPPAT Phytochemical identifier: IMPHY012776

Phytochemical name: Bicyclomahanimbine

Synonymous chemical names:
bicyclomahanimbine

External chemical identifiers:
CID:5315364

---

Chemical structure information

SMILES:
Cc1cc2c3ccccc3[nH]c2c2c1OC1(C)CCC3C1C2C3(C)C

InChI:
InChI=1S/C23H25NO/c1-12-11-14-13-7-5-6-8-16(13)24-20(14)17-19-18-15(22(19,2)3)9-10-23(18,4)25-21(12)17/h5-8,11,15,18-19,24H,9-10H2,1-4H3

InChIKey:
CUSONBTUCOAEMV-UHFFFAOYSA-N

DeepSMILES:
Cccccccccc6[nH]c9cc%13OCC)CCCC5C9C4C)C

Functional groups:
cOC, c[nH]c

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1c3c(ccc12)OC1CCC2CC3C21

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCC2OC3CCC4CC(C43)C21

Scaffold Graph level:
C1CCC2C(C1)CC1C2CCC2CC3CCC4CC(C34)C21

---

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: 1.749

---

Chemical structure download