5-[(2R,3R)-3-(3-methylbut-2-enyl)-4-methylideneoxolan-2-yl]-1H-indole
| Internal ID | 5350c1a0-b875-4831-954d-c60d763f4477 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 5-[(2R,3R)-3-(3-methylbut-2-enyl)-4-methylideneoxolan-2-yl]-1H-indole |
| SMILES (Canonical) | CC(=CCC1C(OCC1=C)C2=CC3=C(C=C2)NC=C3)C |
| SMILES (Isomeric) | CC(=CC[C@H]1[C@@H](OCC1=C)C2=CC3=C(C=C2)NC=C3)C |
| InChI | InChI=1S/C18H21NO/c1-12(2)4-6-16-13(3)11-20-18(16)15-5-7-17-14(10-15)8-9-19-17/h4-5,7-10,16,18-19H,3,6,11H2,1-2H3/t16-,18+/m1/s1 |
| InChI Key | GUYHUNOTZXAXFK-AEFFLSMTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO |
| Molecular Weight | 267.40 g/mol |
| Exact Mass | 267.162314293 g/mol |
| Topological Polar Surface Area (TPSA) | 25.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 5-[(2R,3R)-3-(3-methylbut-2-enyl)-4-methylideneoxolan-2-yl]-1H-indole](https://plantaedb.com/storage/docs/compounds/2023/11/5-2r3r-3-3-methylbut-2-enyl-4-methylideneoxolan-2-yl-1h-indole.jpg "2D Structure of 5-[(2R,3R)-3-(3-methylbut-2-enyl)-4-methylideneoxolan-2-yl]-1H-indole")
| 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 | 98.28% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.06% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.54% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.16% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.09% | 96.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 90.92% | 89.44% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.05% | 85.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.29% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.44% | 98.95% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.40% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.17% | 85.14% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.32% | 89.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.30% | 98.59% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.82% | 92.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.59% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.44% | 94.73% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 83.23% | 95.55% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.84% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.80% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.30% | 92.94% |
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.
| Raputia praetermissa |
| PubChem | 162888961 |
| LOTUS | LTS0136629 |
| wikiData | Q105020821 |