Colchicine, N-deacetyl-N-(O,O'-diacetyl)fluorescinyl-
| Internal ID | b19b2bf1-af70-499b-8282-9b132446a1b8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | [6-acetyloxy-9-[2-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl]-9H-xanthen-3-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)NC5CCC6=CC(=C(C(=C6C7=CC=C(C(=O)C=C57)OC)OC)OC)OC |
| SMILES (Isomeric) | CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)NC5CCC6=CC(=C(C(=C6C7=CC=C(C(=O)C=C57)OC)OC)OC)OC |
| InChI | InChI=1S/C44H39NO11/c1-23(46)54-26-12-14-31-37(20-26)56-38-21-27(55-24(2)47)13-15-32(38)41(31)28-9-7-8-10-30(28)44(49)45-34-17-11-25-19-39(51-4)42(52-5)43(53-6)40(25)29-16-18-36(50-3)35(48)22-33(29)34/h7-10,12-16,18-22,34,41H,11,17H2,1-6H3,(H,45,49) |
| InChI Key | GMUDRRFHUVWFSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H39NO11 |
| Molecular Weight | 757.80 g/mol |
| Exact Mass | 757.25231106 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 5.20 |
| GMUDRRFHUVWFSD-UHFFFAOYSA-N |
| 6-(Acetyloxy)-9-(2-([(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)amino]carbonyl)phenyl)-9H-xanthen-3-yl acetate # |
| 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 | 99.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.75% | 98.75% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 96.57% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.62% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.33% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.55% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.66% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.23% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.19% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.04% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.53% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.24% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.75% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.67% | 97.14% |
| CHEMBL4531 | P17931 | Galectin-3 | 84.93% | 96.90% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.90% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.81% | 92.98% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 84.80% | 98.44% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.41% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.18% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.38% | 89.50% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.32% | 96.86% |
| CHEMBL240 | Q12809 | HERG | 80.71% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.18% | 95.17% |
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.
| Eleutherococcus senticosus |