Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (2-endo,5-exo)-
| Internal ID | aeda21ff-cceb-4164-a311-2634cc2d7c60 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol |
| SMILES (Canonical) | CC1(C2CC(C1(CC2O)C)O)C |
| SMILES (Isomeric) | CC1(C2CC(C1(CC2O)C)O)C |
| InChI | InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3 |
| InChI Key | HLVIHBJQDKVEAL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.25 g/mol |
| Exact Mass | 170.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 1.40 |
| HLVIHBJQDKVEAL-UHFFFAOYSA-N |
| AKOS000267587 |
| 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,5-diol # |
| Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (2-endo,5-exo)- |
![2D Structure of Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (2-endo,5-exo)-](https://plantaedb.com/storage/docs/compounds/2023/11/bicyclo221heptane-25-diol-177-trimethyl-2-endo5-exo-.jpg "2D Structure of Bicyclo[2.2.1]heptane-2,5-diol, 1,7,7-trimethyl-, (2-endo,5-exo)-")
| 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 | 94.79% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.98% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.82% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.56% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.85% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.57% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.28% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.30% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.06% | 97.64% |
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.
| Heliopsis longipes |
| Salvia chinensis |
| Zingiber officinale |
| PubChem | 535224 |
| LOTUS | LTS0129326 |
| wikiData | Q105030319 |