Demecolceine
| Internal ID | eaa6a72b-7120-4892-8375-a174980abb86 |
| Taxonomy | Hydrocarbon derivatives > Tropones > Tropolones |
| IUPAC Name | 10-hydroxy-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| SMILES (Canonical) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC |
| SMILES (Isomeric) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC |
| InChI | InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12-6-8-15(22)16(23)10-13(12)14/h6,8-10,14,21H,5,7H2,1-4H3,(H,22,23) |
| InChI Key | ATWWYGQDYGSWQA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 77.00 Ų |
| XlogP | 1.00 |
| Colchameine |
| COLCHICEINE, N-DEACETYL-N-METHYL- |
| 518-11-6 |
| 10-hydroxy-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-10-hydroxy-1,2,3-trimethoxy-7-(methylamino)-, (S)- |
| (7s)-9-hydroxy-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-10(5h)-one |
| NSC 36559 |
| ATWWYGQDYGSWQA-UHFFFAOYSA-N |
| Colchiceine, N-desacetyl-N-methyl- |
| Colchiceine, 7-deacetamido-7-(methylamino)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.72% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 96.70% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.16% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.14% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.93% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.86% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.05% | 91.49% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.57% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.71% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.20% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.11% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.09% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.24% | 91.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.88% | 91.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.25% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.74% | 86.33% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.60% | 96.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.98% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.65% | 99.23% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.18% | 88.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.40% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.30% | 92.62% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 81.29% | 82.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.29% | 96.00% |
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 bivonae |
| Colchicum robustum |
| PubChem | 10605 |
| LOTUS | LTS0139282 |
| wikiData | Q104918732 |