16-Hydroxytabersonine
| Internal ID | 2b2f9654-3794-4656-b105-5e83e5788604 |
| Taxonomy | Alkaloids and derivatives > Plumeran-type alkaloids |
| IUPAC Name | methyl (1R,12R,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate |
| SMILES (Canonical) | CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)O)C(=O)OC |
| SMILES (Isomeric) | CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)O)C(=O)OC |
| InChI | InChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/t19-,20-,21-/m0/s1 |
| InChI Key | FXUFRJQCBVSCRZ-ACRUOGEOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.00 |
| 16-Hydroxytabersonine |
| 22149-28-6 |
| Tabersonine, 11-hydroxy- |
| GV2G76UPD2 |
| UNII-GV2G76UPD2 |
| CHEBI:17699 |
| methyl (1R,12R,19S)-12-ethyl-5-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9,13-pentaene-10-carboxylate |
| 1H-Indolizino(8,1-cd)carbazole, aspidospermidine-3-carboxylic acid deriv. |
| methyl 16-hydroxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate |
| Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-16-hydroxy-, methyl ester, (5alpha,12R,19alpha)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.83% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.22% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.06% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.24% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.79% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.08% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.68% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.17% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.85% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.95% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.66% | 93.03% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.33% | 97.28% |
| CHEMBL240 | Q12809 | HERG | 83.75% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.04% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.15% | 90.93% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.64% | 91.79% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.45% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.21% | 91.03% |
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.
| Catharanthus roseus |
| Melodinus fusiformis |
| Melodinus tenuicaudatus |
| Tabernanthe iboga |
| PubChem | 443326 |
| LOTUS | LTS0206376 |
| wikiData | Q20179989 |