Summary

IMPPAT Phytochemical identifier: IMPHY008962

Phytochemical name: Alstopicralamine

Synonymous chemical names:
alstopicralamine, quaternine

External chemical identifiers:
CID:6442563

---

Chemical structure information

SMILES:
COC(=O)C1[C@@H]2CC3C45C1(C[C@@H](O4)N3C/C/2=C/C)c1cc(OC)c(cc1N5C)OC

InChI:
InChI=1S/C23H28N2O5/c1-6-12-11-25-18-7-13(12)20(21(26)29-5)22-10-19(25)30-23(18,22)24(2)15-9-17(28-4)16(27-3)8-14(15)22/h6,8-9,13,18-20H,7,10-11H2,1-5H3/b12-6-/t13-,18?,19-,20?,22?,23?/m1/s1

InChIKey:
IMTNXQPCOHYKEO-ISSULDDSSA-N

DeepSMILES:
COC=O)C[C@@H]CCCC6C[C@@H]O5)N6C/C/%10=C/C)))))))cccOC))ccc6N9C))))OC

Functional groups:
C/C=C(/C)C, COC(C)=O, cN(C)C12CC[C@@H](O1)N(C)C2, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CN2C3CC45CC1CC2C4(Nc1ccccc15)O3

Scaffold Graph/Node level:
CC1CN2C3CC45CC1CC2C4(NC1CCCCC15)O3

Scaffold Graph level:
CC1CC2C3CC45CC1CC2C4(C3)CC1CCCCC15

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.877

---

Chemical structure download