7-(1-Hydroxypropan-2-yl)-1a,4-dimethyl-2,3,3a,4,5,6,7,7b-octahydronaphtho[1,2-b]oxiren-7a-ol
| Internal ID | 85b07713-8ca3-4ece-8b4b-761ab0d236e7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 7-(1-hydroxypropan-2-yl)-1a,4-dimethyl-2,3,3a,4,5,6,7,7b-octahydronaphtho[1,2-b]oxiren-7a-ol |
| SMILES (Canonical) | CC1CCC(C2(C1CCC3(C2O3)C)O)C(C)CO |
| SMILES (Isomeric) | CC1CCC(C2(C1CCC3(C2O3)C)O)C(C)CO |
| InChI | InChI=1S/C15H26O3/c1-9-4-5-11(10(2)8-16)15(17)12(9)6-7-14(3)13(15)18-14/h9-13,16-17H,4-8H2,1-3H3 |
| InChI Key | XYSPKAIJKBSRBB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 7-(1-Hydroxypropan-2-yl)-1a,4-dimethyl-2,3,3a,4,5,6,7,7b-octahydronaphtho[1,2-b]oxiren-7a-ol](https://plantaedb.com/storage/docs/compounds/2023/11/7-1-hydroxypropan-2-yl-1a4-dimethyl-233a45677b-octahydronaphtho12-boxiren-7a-ol.jpg "2D Structure of 7-(1-Hydroxypropan-2-yl)-1a,4-dimethyl-2,3,3a,4,5,6,7,7b-octahydronaphtho[1,2-b]oxiren-7a-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.42% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.52% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.03% | 97.31% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.11% | 98.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.73% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.59% | 96.61% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 84.86% | 88.81% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.76% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.26% | 89.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.04% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.57% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.20% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.13% | 97.79% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.81% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.59% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.25% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.20% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.02% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.96% | 95.93% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.84% | 97.28% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.58% | 95.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.41% | 98.10% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.37% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.23% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.02% | 92.88% |
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.
| Artemisia annua |
| PubChem | 73802312 |
| LOTUS | LTS0235284 |
| wikiData | Q105344646 |