(1R,2R,4aR,5R,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 6867854a-7e6b-4802-96b0-4a5e26ba54b3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2R,4aR,5R,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(C2CCC(=C)C=C)(C)O)C)CO |
| SMILES (Isomeric) | C[C@]1(CCC[C@]2([C@H]1CC[C@@]([C@@H]2CCC(=C)C=C)(C)O)C)CO |
| InChI | InChI=1S/C20H34O2/c1-6-15(2)8-9-17-19(4)12-7-11-18(3,14-21)16(19)10-13-20(17,5)22/h6,16-17,21-22H,1-2,7-14H2,3-5H3/t16-,17+,18-,19-,20+/m0/s1 |
| InChI Key | UEWVIJOFBJOAGV-LJDSDSDDSA-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 | 5.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.41% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.46% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.24% | 97.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.40% | 83.82% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 89.96% | 97.64% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.82% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.68% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.10% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.82% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.75% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.23% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.85% | 94.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.09% | 92.97% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.02% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.15% | 95.92% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.79% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.53% | 100.00% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 82.29% | 97.34% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.72% | 98.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.08% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.37% | 91.49% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.32% | 97.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.00% | 95.38% |
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.
| Stachys plumosa |
| PubChem | 10494902 |
| LOTUS | LTS0072372 |
| wikiData | Q105271182 |