(1S,4S,4aS,6R,8aR)-decahydro-1,4-dimethyl-6-(prop-1-en-2-yl)naphthalen-1-ol
| Internal ID | c0435569-f403-4863-a66c-60b685eeb0d0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1S,4S,4aS,6R,8aR)-1,4-dimethyl-6-prop-1-en-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol |
| SMILES (Canonical) | CC1CCC(C2C1CC(CC2)C(=C)C)(C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@]([C@H]2[C@H]1C[C@@H](CC2)C(=C)C)(C)O |
| InChI | InChI=1S/C15H26O/c1-10(2)12-5-6-14-13(9-12)11(3)7-8-15(14,4)16/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-/m0/s1 |
| InChI Key | BUXOZBGFHXEDIJ-ZQNQSHIBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.02% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.91% | 97.64% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.47% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.52% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.20% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.39% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.02% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.39% | 85.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.53% | 96.43% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.11% | 95.88% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.02% | 96.61% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.47% | 89.05% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.06% | 98.35% |
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.
| Crocus sativus |
| Gardenia jasminoides |
| Verbascum lychnitis |
| PubChem | 139584242 |
| LOTUS | LTS0049114 |
| wikiData | Q105204624 |