Summary

IMPPAT Phytochemical identifier: IMPHY003185

Phytochemical name: Colchicine, N-methyl-

Synonymous chemical names:
3-methyl-colchicine

External chemical identifiers:
CID:23758, ChEMBL:CHEMBL89261, MolPort-047-581-988

---

Chemical structure information

SMILES:
COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)N(C(=O)C)C)OC)c1OC

InChI:
InChI=1S/C23H27NO6/c1-13(25)24(2)17-9-7-14-11-20(28-4)22(29-5)23(30-6)21(14)15-8-10-19(27-3)18(26)12-16(15)17/h8,10-12,17H,7,9H2,1-6H3/t17-/m0/s1

InChIKey:
AHZFWPXTSZCLDJ-KRWDZBQOSA-N

DeepSMILES:
COccOC))ccc-ccccc=O)cc7[C@H]CC%12))NC=O)C))C))))))OC))))))c6OC

Functional groups:
CC(=O)N(C)C, c=O, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc2c(c1)CCCc1ccccc1-2

Scaffold Graph/Node level:
OC1CCCC2C(CCCC3CCCCC32)C1

Scaffold Graph level:
CC1CCCC2C(CCCC3CCCCC32)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbon derivatives

ClassyFire Class: Tropones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenethylisoquinoline alkaloids

NP-Likeness score: 0.626

---

Chemical structure download