2-Demethyldemecolcine
AlkaPlorer ID: AK018543
Synonym: '2-Demethyl-N-methyl-N-deacetylcolchicine'
IUPAC Name: (7S)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: CN[C@H]1CCC2=CC(OC)=C(O)C(OC)=C2C2=CC=C(OC)C(=O)C=C21
InChI: InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(25-3)19(23)20(26-4)18(11)12-6-8-16(24-2)15(22)10-13(12)14/h6,8-10,14,21,23H,5,7H2,1-4H3/t14-/m0/s1
InChIKey: KEOVUWFJHROWNK-AWEZNQCLSA-N
Reference
Metacolchicine, a New Colchicinoid from Sandersonia aurantiaca
PubChem CID: 146030
CAS: 7359-91-3
LOTUS: LTS0189266
SuperNatural Ⅲ: SN0183525-01
NPASS: NPC188120
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cneorum tricoccon | Cneorum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Centaurea behen | Centaurea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Chamaecytisus prolifer | Chamaecytisus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.4060000000001
TPSA？: 77.02000000000001
MolLogP？: 2.6519000000000013
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 67000.0 | nM | 10.1021/np50070a044 |