4,4a-Dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol
| Internal ID | 8fe0a091-24af-4595-92ff-c2016cd8a7b8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 4,4a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,8a-diol |
| SMILES (Canonical) | CC1CCC(C2(C1(CC(CC2)C(=C)C)C)O)O |
| SMILES (Isomeric) | CC1CCC(C2(C1(CC(CC2)C(=C)C)C)O)O |
| InChI | InChI=1S/C15H26O2/c1-10(2)12-7-8-15(17)13(16)6-5-11(3)14(15,4)9-12/h11-13,16-17H,1,5-9H2,2-4H3 |
| InChI Key | SYQOXUZXBKCNIB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
| 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 | 95.16% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.63% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.07% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.46% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.49% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.36% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.82% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 86.20% | 97.64% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.71% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.85% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.75% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.21% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.14% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.80% | 97.05% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 80.66% | 91.67% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.61% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.40% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.13% | 94.45% |
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.
| Alpinia oxyphylla |
| PubChem | 73240819 |
| LOTUS | LTS0069325 |
| wikiData | Q105263731 |