O(sup 2)-Demethylcolchicine
| Internal ID | 0b474769-87b8-425e-b59f-13c88d3534a1 |
| Taxonomy | Hydrocarbon derivatives > Tropones |
| IUPAC Name | N-(2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide |
| SMILES (Canonical) | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC |
| SMILES (Isomeric) | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC |
| InChI | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23) |
| InChI Key | DPOVAJCRYIUTBD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H23NO6 |
| Molecular Weight | 385.40 g/mol |
| Exact Mass | 385.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 94.10 Ų |
| XlogP | 0.50 |
| Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)- |
| O(sup 2)-Demethylcolchicine |
| Isocolchiceine |
| COLCHICINE, O(sup 2)-DEMETHYL- |
| CHEMBL325328 |
| DPOVAJCRYIUTBD-UHFFFAOYSA-N |
| Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3,10-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)- |
| FT-0665699 |
| N-(2-Hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide # |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.45% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.76% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.75% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.67% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.64% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.45% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.78% | 91.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.43% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.30% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.00% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.83% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.02% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.15% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.73% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.84% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.68% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.36% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.30% | 96.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.44% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.29% | 91.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.76% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.10% | 99.23% |
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 autumnale |
| Colchicum bivonae |
| Colchicum doerfleri |
| Colchicum soboliferum |
| Colchicum trigynum |
| Sandersonia aurantiaca |
| PubChem | 541033 |
| LOTUS | LTS0202596 |
| wikiData | Q104986638 |