(1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol
| Internal ID | 29ea780a-d4f8-4c31-9f29-9f4324327462 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol |
| SMILES (Canonical) | CC1(C(CC2C1(C(CC3(CC(C4C3C(C2(C)O)CC4)(C)O)O)O)O)O)C |
| SMILES (Isomeric) | C[C@]1(C[C@]2(C[C@H]([C@]3([C@@H](C[C@@H](C3(C)C)O)[C@]([C@H]4[C@H]2[C@H]1CC4)(C)O)O)O)O)O |
| InChI | InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,24)11-6-5-10-15(11)19(25,9-17(10,3)23)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1 |
| InChI Key | PNXZEOYIDGRIFH-WHXJEJCNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H34O6 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/96628950-8577-11ee-ac8f-d73ee596ef25.jpg "2D Structure of (1R,2R,3S,5S,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,5,7,8,10,12-hexol")
| 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 | 91.69% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.79% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.82% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.64% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.89% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.73% | 92.94% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.42% | 97.64% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.59% | 96.43% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.58% | 95.93% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.22% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.84% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.82% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.79% | 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.
| Kalmia angustifolia |
| Rhododendron molle |
| PubChem | 154496830 |
| LOTUS | LTS0176585 |
| wikiData | Q105212273 |