Bioactive Compound Details

BioIDbio199420
Name2-DESMETHYLCOLCHICIN
ChEMBL IDCHEMBL1080
Molecular FormulaC21H23NO6
Molecular Weight385.42
Molecular Weight (Monoisotopic)385.1525
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Desmethylcolchicin
SmilesCOc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
InchiInChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
Inchi KeyDPOVAJCRYIUTBD-HNNXBMFYSA-N
Molecular SpeciesNEUTRAL
Targets19.0
Bioactivities27.0
Np Likeness Score1.07
Records Key['21', '12', '2', '3', '9', '4b', '11']
Records Name['N-(2-Hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide', 'N-(2-Hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide', 'N-((S)-2-Hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide', '2-dimethylcolchicine', '2-demethylcolchicine', 'N-((S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide', '2-O-demethylcolchicine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure