Summary

IMPPAT Phytochemical identifier: IMPHY006343

Phytochemical name: Colchicine

Synonymous chemical names:
colchicene, colchicine

External chemical identifiers:
CID:6167, ChEMBL:CHEMBL107, ChEBI:27882, ZINC:ZINC000000621853, FDASRS:SML2Y3J35T, SureChEMBL:SCHEMBL8469, MolPort-001-742-594

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Chemical structure information

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

InChI:
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChIKey:
IAKHMKGGTNLKSZ-INIZCTEOSA-N

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

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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenethylisoquinoline alkaloids

NP-Likeness score: 0.755

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Chemical structure download