N-Deacetylcolchicine; (S)-form, 10-O-De-Me
AlkaPlorer ID: AK294454
Synonym: N-Deacetylcolchiceine, Desacetylcolchiceine
IUPAC Name: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: COC1=CC2=C(C3=C(C=C(O)C(=O)C=C3)C(N)CC2)C(OC)=C1OC
InChI: InChI=1S/C19H21NO5/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22)
InChIKey: IRVWPZRYDQROLU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Merendera | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.37900000000013
TPSA？: 91.01
MolLogP？: 2.3912000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | Inhibition | nan | % | None |
| Homo sapiens | HL-60 | Activity | nan | None | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | Unchecked | Inhibition | nan | % | None |