Hapalindolinone A
| Internal ID | e4cf78d5-4cfa-472d-a7d4-09a50c68b47c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1'S,2'S,3R,3'S,5'R,6'S)-3'-chloro-2'-ethenyl-2'-methyl-2-oxo-5'-prop-1-en-2-ylspiro[1H-indole-3,7'-bicyclo[4.1.0]heptane]-1'-carbonitrile |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H21ClN2O/c1-5-19(4)16(22)10-13(12(2)3)17-20(19,11-23)21(17)14-8-6-7-9-15(14)24-18(21)25/h5-9,13,16-17H,1-2,10H2,3-4H3,(H,24,25)/t13-,16-,17-,19+,20-,21+/m0/s1 |
| InChI Key | CLXKBATYSCEAQF-ZEHUYGQASA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C21H21ClN2O |
| Molecular Weight | 352.90 g/mol |
| Exact Mass | 352.1342410 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 4.00 |
| DTXSID901046870 |
| 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 | 98.68% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.83% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.35% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.30% | 94.62% |
| CHEMBL240 | Q12809 | HERG | 89.22% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.33% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.33% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.04% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.92% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.89% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.80% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.48% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.07% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 135026998 |
| LOTUS | LTS0084783 |
| wikiData | Q104246458 |