(-)-Allocolchicine
| Internal ID | ded6bee6-a391-4d4c-b277-190fbffb52d7 |
| Taxonomy | Alkaloids and derivatives > Allocolchicine alkaloids |
| IUPAC Name | methyl (8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H25NO6/c1-12(24)23-17-9-7-13-11-18(26-2)20(27-3)21(28-4)19(13)15-8-6-14(10-16(15)17)22(25)29-5/h6,8,10-11,17H,7,9H2,1-5H3,(H,23,24)/t17-/m0/s1 |
| InChI Key | NMKUAEKKJQYLHK-KRWDZBQOSA-N |
| Popularity | 41 references in papers |
| Molecular Formula | C22H25NO6 |
| Molecular Weight | 399.40 g/mol |
| Exact Mass | 399.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 83.10 Ų |
| XlogP | 2.90 |
| 641-28-1 |
| BRN 2955763 |
| 5H-Dibenzo(a,c)cycloheptene-3-carboxylic acid, 6,7-dihydro-5-(acetylamino)-9,10,11-trimethoxy-, methyl ester, (S)- |
| 4-14-00-02536 (Beilstein Handbook Reference) |
| SCHEMBL5840788 |
| DTXSID00982610 |
| NMKUAEKKJQYLHK-KRWDZBQOSA-N |
| Methyl 5-acetylamino-6,7-dihydro-9,10,11-trimethoxy-5H-dibenzo(a,c)cycloheptene-3-carboxylate |
| N-[9,10,11-Trimethoxy-3-(methoxycarbonyl)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl]ethanimidic acid |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.47% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.24% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.85% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.19% | 90.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.25% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.07% | 91.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.82% | 89.50% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 86.45% | 96.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.38% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.07% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.73% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.85% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.61% | 92.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.43% | 93.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.07% | 94.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.42% | 95.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.89% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.82% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.63% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.25% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Colchicum decaisnei |
| PubChem | 196989 |
| LOTUS | LTS0023994 |
| wikiData | Q82969418 |