N-Formyl-N-deacetylcolchicine
AlkaPlorer ID: AK019288
Synonym: ''
IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
Structure
SMILES: COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](N=CO)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey: HDSXDWASQCHADG-HNNXBMFYSA-N
Reference
Alkaloids and phenolics of three Merendera species
PubChem CID: 23890
CAS: 7411-12-3
LOTUS: LTS0241771
SuperNatural Ⅲ: SN0122835-01
NPASS: NPC44642
Source
Properties Information
Molecule Weight: 385.4160000000001
TPSA？: 86.58
MolLogP？: 3.3218000000000014
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 23.92 | % | 10.1016/j.bmc.2012.09.040 |
| Equus caballus | Cholinesterase | Inhibition | -0.59 | % | 10.1016/j.bmc.2012.09.040 |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 12589.3 | nM | None |
| Mus musculus | Mus musculus | LD50 | 2.7 | mg.kg-1 | 10.1021/jm00137a031 |
| Mus musculus | Mus musculus | LD50 | 5.0 | mg.kg-1 | 10.1021/jm00137a031 |
| Mus musculus | Mus musculus | Log 1/LD50 | 5.16 | None | 10.1021/jm00137a031 |
| Mus musculus | P388 | Log 1/C | 6.63 | None | 10.1021/jm00135a004 |
| None | No relevant target | LogP | 1.02 | None | 10.1021/jm00135a004 |
| None | No relevant target | LogP | 1.02 | None | 10.1021/jm00137a031 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.9b00880 |
| None | Unchecked | Potency | 89.1 | nM | None |
| None | Unchecked | Potency | 794.3 | nM | None |