Summary

IMPPAT Phytochemical identifier: IMPHY005681

Phytochemical name: Colchiceine

Synonymous chemical names:
2-acetyl-2-demethylcolchicine

External chemical identifiers:
CID:234105, ChEMBL:CHEMBL142588, ZINC:ZINC000002040495, FDASRS:HJ30158L57, SureChEMBL:SCHEMBL177858, MolPort-003-665-610

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Chemical structure information

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

InChI:
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1

InChIKey:
PRGILOMAMBLWNG-HNNXBMFYSA-N

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

Functional groups:
CC(=O)NC, c=O, cO, cOC

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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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbon derivatives

ClassyFire Class: Tropones

ClassyFire Subclass: Tropolones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenethylisoquinoline alkaloids

NP-Likeness score: 0.947

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Chemical structure download