1a,5-Dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxiren-2-ol
| Internal ID | 69e63e33-669b-48f5-a577-2b0522431e76 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 1a,5-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxiren-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O2/c1-9(2)11-7-10(3)12-5-6-13(16)14(4)15(12,8-11)17-14/h10-13,16H,1,5-8H2,2-4H3 |
| InChI Key | FPAJRRSIWPSYOP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 1a,5-Dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxiren-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1a5-dimethyl-7-prop-1-en-2-yl-2344a5678-octahydronaphtho18a-boxiren-2-ol.jpg "2D Structure of 1a,5-Dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxiren-2-ol")
| 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 | 94.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.40% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.98% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.71% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.55% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.43% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.34% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.24% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.21% | 96.43% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.22% | 98.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.84% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.34% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.17% | 91.19% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.13% | 86.00% |
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.
| Cyperus rotundus |
| PubChem | 162982341 |
| LOTUS | LTS0136569 |
| wikiData | Q104999052 |