2,7,8,10,12-Pentahydroxy-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecan-5-one
| Internal ID | d4b7aff6-55f9-4918-8b4a-48c2708e93d5 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 2,7,8,10,12-pentahydroxy-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecan-5-one |
| SMILES (Canonical) | CC1(C(=O)CC2C1(C(CC3(CC(C4C3C(C2(C)O)CC4)(C)O)O)O)O)C |
| SMILES (Isomeric) | CC1(C(=O)CC2C1(C(CC3(CC(C4C3C(C2(C)O)CC4)(C)O)O)O)O)C |
| InChI | InChI=1S/C20H32O6/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/h10-12,14-15,22-26H,5-9H2,1-4H3 |
| InChI Key | YXUJMWMLIBHOHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O6 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 2,7,8,10,12-Pentahydroxy-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2781012-pentahydroxy-26612-tetramethyltetracyclo85103701316hexadecan-5-one.jpg "2D Structure of 2,7,8,10,12-Pentahydroxy-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecan-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.99% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.12% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.69% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.93% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.40% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.73% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.48% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.01% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.76% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.25% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.21% | 91.11% |
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.
| Rhododendron molle |
| PubChem | 85198734 |
| LOTUS | LTS0231382 |
| wikiData | Q105368197 |