(1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol
| Internal ID | bc88877a-aec0-4589-b53a-294a8039a607 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol |
| SMILES (Canonical) | CC1=C(C2CC(CCC2(CC1)C)(C)C)CCC=C(C)CCC3C(=C)CCC(C3(C)C)O |
| SMILES (Isomeric) | CC1=C([C@@H]2CC(CC[C@@]2(CC1)C)(C)C)CC/C=C(\C)/CC[C@H]3C(=C)CC[C@H](C3(C)C)O |
| InChI | InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,25-27,31H,3,9,11-20H2,1-2,4-8H3/b21-10+/t25-,26-,27+,30-/m0/s1 |
| InChI Key | OPDQSNQDIGJUIR-PAPAJTGESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of (1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/269d3780-8472-11ee-bd7e-15c4b26eaf78.jpg "2D Structure of (1R,3S)-3-[(E)-6-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl]-3-methylhex-3-enyl]-2,2-dimethyl-4-methylidenecyclohexan-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.41% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.52% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.93% | 95.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.36% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.97% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.50% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.57% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.40% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.08% | 90.17% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.47% | 94.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.35% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.77% | 96.95% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.53% | 96.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.26% | 95.50% |
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.
| Oryza sativa |
| PubChem | 163189143 |
| LOTUS | LTS0138752 |
| wikiData | Q105196006 |