N-Deacetylcolchicine; (S)-form, 10-O-De-Me, N-Me
AlkaPlorer ID: AK294464
Synonym: Demecolceine, N-Deacetyl-N-methylcolchiceine, Colchameine, Substance Ta
IUPAC Name: 10-hydroxy-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: CNC1CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(O)C(=O)C=C21
InChI: InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-8-15(22)16(23)10-13(12)14/h6,8-10,14,21H,5,7H2,1-4H3,(H,22,23)
InChIKey: ATWWYGQDYGSWQA-UHFFFAOYSA-N
Reference
Alkaloids of Merendera iolantae
PubChem CID: 10605
CAS: 518-11-6
LOTUS: LTS0139282
COCONUT: CNP0110994.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Merendera | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Colchicum autumnale | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.40600000000006
TPSA？: 77.02000000000001
MolLogP？: 2.6519000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|