hapalindole H
| Internal ID | e564be1a-108d-4ea2-bd7a-78fd76a14931 |
| IUPAC Name | (2R,3R,4R,7R)-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene |
| SMILES (Canonical) | CC1(C2CCC(C(C2C3=CNC4=CC=CC1=C43)[N+]#[C-])(C)C=C)C |
| SMILES (Isomeric) | C[C@@]1(CC[C@@H]2[C@@H]([C@H]1[N+]#[C-])C3=CNC4=CC=CC(=C43)C2(C)C)C=C |
| InChI | InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19-,21+/m1/s1 |
| InChI Key | SLUFHMQYBPOTFZ-LKRGOLFISA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H24N2 |
| Molecular Weight | 304.40 g/mol |
| Exact Mass | 304.193948774 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.10 |
| 101968-75-6 |
| CHEBI:140440 |
| (2R,3R,4R,7R)-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene |
| (6aR,9R,10R,10aR)-9-ethenyl-10-isocyano-6,6,9-trimethyl-2,2a,6,6a,7,8,9,10,10a,10c-decahydronaphtho[1,2,3-cd]indole |
| (2R,3R,4R,7R)-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo(7.6.1.02,7.013,16)hexadeca-1(15),9(16),10,12-tetraene |
| (6aR,9R,10R,10aR)-9-ethenyl-10-isocyano-6,6,9-trimethyl-2,2a,6,6a,7,8,9,10,10a,10c-decahydronaphtho(1,2,3-cd)indole |
| RefChem:145220 |
| (6aR,9R,10R,10aR)-10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole |
| MLS004797563 |
| CHEMBL562103 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.33% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.28% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.69% | 85.30% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 92.53% | 96.39% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.72% | 100.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 91.71% | 80.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.98% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.63% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.61% | 88.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.17% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.82% | 97.25% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.81% | 85.49% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.57% | 97.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.04% | 93.99% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.37% | 89.44% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.29% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.98% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.94% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 80.84% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.32% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 21671525 |
| LOTUS | LTS0203221 |
| wikiData | Q74410841 |