Colchicine; (ξ)-form
AlkaPlorer ID: AK292827
Synonym: None
IUPAC Name: N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Structure
SMILES: COC1=C(OC)C(OC)=C2C(=C1)CCC(N=C(C)O)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
InChIKey: IAKHMKGGTNLKSZ-UHFFFAOYSA-N
Reference
Isolation and identification of alkaloids from seeds of Colchicum latifolium s. s.
PubChem CID: 2833
CAS: 64-86-8
LOTUS: LTS0129921
SuperNatural Ⅲ: SN0140378
NPASS: NPC14005
COCONUT: CNP0215656.5
Source
Properties Information
Molecule Weight: 399.4430000000001
TPSA？: 86.58
MolLogP？: 3.7119000000000018
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 14575.0 | nM | None |
| Homo sapiens | BJ | EC50 | 249.0 | nM | None |
| Homo sapiens | BJ | EC50 | 348.0 | nM | None |
| Homo sapiens | BJ | EC50 | 627.0 | nM | None |
| Homo sapiens | Geminin | Potency | 4.6 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 1122.0 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 3162.3 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 14.6 | nM | None |
| Homo sapiens | Microphthalmia-associated transcription factor | AC50 | 56.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 12995.3 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 260.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 9.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18.4 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 46.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 58.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 7375.3 | nM | None |
| None | ADMET | Biotransformation | nan | None | 10.1038/s41586-019-1291-3 |
| None | ADMET | PPB | 32.88 | % | 10.6019/CHEMBL3301361 |
| None | NON-PROTEIN TARGET | Potency | 10583.9 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 14950.2 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 16774.4 | nM | None |
| None | No relevant target | LogD7.4 | 1.12 | None | 10.6019/CHEMBL3301361 |
| None | Unchecked | EC50 | 351.0 | nM | None |
| None | Unchecked | Potency | 5.0 | nM | None |
| None | Unchecked | Potency | 9.2 | nM | None |
| None | Unchecked | Potency | 31.6 | nM | None |
| None | Unchecked | Potency | 112.2 | nM | None |
| None | Unchecked | Potency | 130.0 | nM | None |
| None | Unchecked | Potency | 206.0 | nM | None |
| None | Unchecked | Potency | 354.8 | nM | None |
| None | Unchecked | Potency | 891.3 | nM | None |
| None | Unchecked | Potency | 25118.9 | nM | None |