Cortistatin J
| Internal ID | d9aec44a-bfbb-4933-ad94-6720eb9168bd |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | (1S,2R,5S,6R,14S,16R)-5-isoquinolin-7-yl-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12-trien-14-amine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H34N2O/c1-28-12-10-24-17-23-6-7-25(32(2)3)18-29(23)13-14-30(24,33-29)27(28)9-8-26(28)21-5-4-20-11-15-31-19-22(20)16-21/h4-7,10-11,15-17,19,25-27H,8-9,12-14,18H2,1-3H3/t25-,26-,27-,28-,29-,30-/m1/s1 |
| InChI Key | FJXAOLJCOASQTL-VHNXJUCRSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C30H34N2O |
| Molecular Weight | 438.60 g/mol |
| Exact Mass | 438.267113712 g/mol |
| Topological Polar Surface Area (TPSA) | 25.40 Ų |
| XlogP | 4.70 |
| Cortistatine J |
| (-)-Cortistatin J |
| F69CWM0JQX |
| 944804-62-0 |
| DTXSID901336421 |
| (3S,3aR,9S,10aR,12aS,12bR)-1,2,3,3a,4,9,10,11,12,12b-Decahydro-3-(7-isoquinolinyl)-N,N,3a-trimethyl-10a,12a-epoxybenzo(4,5)cyclohept(1,2-E)inden-9-amine |
| 10a,12a-Epoxybenzo(4,5)cyclohept(1,2-E)inden-9-amine, 1,2,3,3a,4,9,10,11,12,12b-decahydro-3-(7-isoquinolinyl)-N,N,3a-trimethyl-, (3S,3aR,9S,10aR,12aS,12bR)- |
| RefChem:128107 |
| DTXCID201766617 |
| (1S,2R,5S,6R,14S,16R)-5-isoquinolin-7-yl-N,N,6-trimethyl-19-oxapentacyclo(14.2.1.01,9.02,6.011,16)nonadeca-8,10,12-trien-14-amine |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.06% | 92.51% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 95.51% | 85.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.22% | 85.30% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.95% | 91.49% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.18% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.49% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 91.26% | 85.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.65% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.65% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.58% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.10% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.71% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.65% | 94.45% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 86.55% | 89.44% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.67% | 98.99% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 85.15% | 93.92% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.62% | 97.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.60% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.35% | 94.00% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 84.04% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.84% | 98.95% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.43% | 80.96% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 82.31% | 96.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.30% | 93.99% |
| CHEMBL4158 | P49327 | Fatty acid synthase | 81.99% | 82.50% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 81.59% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.29% | 90.17% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.22% | 93.89% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.87% | 92.86% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.72% | 96.67% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.69% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.12% | 90.08% |
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.
| There are no matching plants. |
| PubChem | 16737543 |
| LOTUS | LTS0083901 |
| wikiData | Q27277712 |