(1S,2R,4aS,8aR)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 78209e04-1cd5-4cc6-b141-3a502de3e278 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,2R,4aS,8aR)-2,5,5,8a-tetramethyl-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)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@@H]1CC[C@@]([C@H]2CCC(=C)C=C)(C)O)(C)C |
| InChI | InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1 |
| InChI Key | JTWQQJDENGGSBJ-RAUXBKROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.50 g/mol |
| Exact Mass | 290.260965704 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 6.50 |
| 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 | 98.97% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.14% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.30% | 83.82% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.71% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.16% | 96.09% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 89.19% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.56% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.44% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.13% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.04% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.85% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.96% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.72% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.79% | 92.97% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.69% | 99.18% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.36% | 97.64% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.10% | 97.05% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.06% | 95.92% |
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.
| Blepharostoma trichophyllum |
| PubChem | 101355570 |
| LOTUS | LTS0227235 |
| wikiData | Q105135048 |