(3S)-5-[(4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
| Internal ID | a2f64807-02c0-4eac-8214-5a4ec1510f24 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3S)-5-[(4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O2/c1-6-19(4,22)13-10-16-15(2)8-9-17-18(3,14-21)11-7-12-20(16,17)5/h6,17,21-22H,1,7-14H2,2-5H3/t17-,18+,19+,20+/m0/s1 |
| InChI Key | JYOVNNXXPXAUHB-MTQWCTHYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (3S)-5-[(4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2cbdbe90-85aa-11ee-8224-fd7ac1a8a600.jpg "2D Structure of (3S)-5-[(4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-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 | 98.47% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.71% | 91.11% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 90.58% | 99.43% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.30% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.05% | 97.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.83% | 90.93% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.79% | 97.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.81% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.41% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.85% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.43% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.83% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.40% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.71% | 86.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.50% | 95.38% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.44% | 94.01% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.18% | 97.05% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.93% | 97.47% |
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.
| Cupressus sempervirens |
| PubChem | 163030488 |
| LOTUS | LTS0162823 |
| wikiData | Q105137133 |