(1R,4S,6R,7R,8S,11S)-4-methyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol
| Internal ID | a0d871df-4edc-49b3-803e-65e72e84b2f2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | (1R,4S,6R,7R,8S,11S)-4-methyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol |
| SMILES (Canonical) | CC(C)C1CCC2C(O2)CCC3(C(C1O)O3)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@H]2[C@H](O2)CC[C@]3([C@@H]([C@@H]1O)O3)C |
| InChI | InChI=1S/C14H24O3/c1-8(2)9-4-5-10-11(16-10)6-7-14(3)13(17-14)12(9)15/h8-13,15H,4-7H2,1-3H3/t9-,10-,11+,12+,13+,14-/m0/s1 |
| InChI Key | IYCWKHGQZIXBBY-KKKKKVIPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H24O3 |
| Molecular Weight | 240.34 g/mol |
| Exact Mass | 240.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (1R,4S,6R,7R,8S,11S)-4-methyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1r4s6r7r8s11s-4-methyl-8-propan-2-yl-512-dioxatricyclo910046dodecan-7-ol.jpg "2D Structure of (1R,4S,6R,7R,8S,11S)-4-methyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.35% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.98% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.54% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.93% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.70% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.22% | 95.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.17% | 97.47% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.09% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.88% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.21% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.15% | 97.25% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.46% | 92.78% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.30% | 98.05% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.26% | 97.56% |
| CHEMBL204 | P00734 | Thrombin | 80.99% | 96.01% |
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.
| Teucrium polium |
| PubChem | 163185311 |
| LOTUS | LTS0225070 |
| wikiData | Q105122667 |