(1R,3aR,5aR,6R,9aS)-Dodecahydro-6-(2Z)-2-penten-4-ynylpyrrolo(1,2-a)quinoline-1-ethanol
| Internal ID | a444a6b0-4b67-4c65-9ea7-35f478a043d0 |
| Taxonomy | Alkaloids and derivatives > Histrionicotoxins |
| IUPAC Name | 2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H29NO/c1-2-3-4-6-15-7-5-8-19-18(15)12-11-16-9-10-17(13-14-21)20(16)19/h1,3-4,15-19,21H,5-14H2/b4-3-/t15-,16-,17+,18+,19-/m0/s1 |
| InChI Key | IQTIQAXNJBRKRG-IZDLKJCPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H29NO |
| Molecular Weight | 287.40 g/mol |
| Exact Mass | 287.224914549 g/mol |
| Topological Polar Surface Area (TPSA) | 23.50 Ų |
| XlogP | 3.90 |
| Histrionicotoxin D |
| HTX D |
| 55893-12-4 |
| 01N796R81A |
| DTXSID401029722 |
| 2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol |
| Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- |
| (1R,3aR,5aR,6R,9aS)-Dodecahydro-6-(2Z)-2-penten-4-ynylpyrrolo[1,2-a]quinoline-1-ethanol |
| (1R,3AR,5AR,6R,9AS)-DODECAHYDRO-6-(2Z)-2-PENTEN-4-YNYLPYRROLO(1,2-A)QUINOLINE-1-ETHANOL |
| Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1R-(1alpha,3abeta,5aalpha,6alpha(Z),9aalpha))- |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.66% | 89.63% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.55% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.81% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.37% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.98% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.84% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.06% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.87% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.90% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.18% | 93.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.80% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.68% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.40% | 98.95% |
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 | 6437870 |
| LOTUS | LTS0135407 |
| wikiData | Q5548689 |