Elymoclavine
| Internal ID | b8f5e05d-22be-403a-bde0-ec83b301ed90 |
| Taxonomy | Alkaloids and derivatives > Ergoline and derivatives > Clavines and derivatives |
| IUPAC Name | [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol |
| SMILES (Canonical) | CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
| SMILES (Isomeric) | CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO |
| InChI | InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,13,15,17,19H,6,8-9H2,1H3/t13-,15-/m1/s1 |
| InChI Key | DAVNRFCJMIONPO-UKRRQHHQSA-N |
| Popularity | 202 references in papers |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.33 g/mol |
| Exact Mass | 254.141913202 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 1.30 |
| 548-43-6 |
| 8,9-Didehydro-6-methylergoline-8-methanol |
| 5LR46DLO0D |
| Elimoclavin |
| ((6aR,10aR)-7-Methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol |
| [(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol |
| Spectrum5_001634 |
| UNII-5LR46DLO0D |
| NSC-109431 |
| EINECS 208-948-9 |
| 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 | 99.36% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.45% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.28% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.70% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.92% | 95.62% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.43% | 95.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.36% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.93% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.02% | 95.89% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.41% | 96.39% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.64% | 88.56% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.54% | 97.50% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.35% | 95.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.49% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.45% | 89.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.32% | 93.03% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.02% | 94.01% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.72% | 90.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.70% | 90.71% |
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.
| Ipomoea corymbosa |
| Ipomoea hederacea |
| Jacquemontia tamnifolia |
| PubChem | 440904 |
| LOTUS | LTS0085657 |
| wikiData | Q5368476 |