(3R,7S,8R)-7,8-dimethyl-10-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecan-3-ol
| Internal ID | 83c21aba-7033-4873-8148-182fe2d8291b |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (3R,7S,8R)-7,8-dimethyl-10-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecan-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O2/c1-10(2)11-8-14(4)13(3)6-5-7-15(14,16)17-12(11)9-13/h10-12,16H,5-9H2,1-4H3/t11?,12?,13-,14+,15+/m0/s1 |
| InChI Key | UTNQUNGFEKWBQT-MMCPYJTDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (3R,7S,8R)-7,8-dimethyl-10-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3r7s8r-78-dimethyl-10-propan-2-yl-2-oxatricyclo531038undecan-3-ol.jpg "2D Structure of (3R,7S,8R)-7,8-dimethyl-10-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecan-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.00% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.03% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.52% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.67% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.20% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.66% | 95.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.10% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.24% | 85.14% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.05% | 92.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.97% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.54% | 96.38% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 82.23% | 97.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.17% | 96.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.45% | 93.56% |
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.
| Valeriana officinalis |
| PubChem | 6428530 |
| LOTUS | LTS0076370 |
| wikiData | Q105278909 |