(2R,3R,4S,4aR,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol
| Internal ID | 5bb52b4e-5e11-4a22-bab0-6b9b2e7a360e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (2R,3R,4S,4aR,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-2,3-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CC(C(C2CO)(C)O)O)C)C |
| SMILES (Isomeric) | C[C@@]12CCCC([C@@H]1C[C@H]([C@]([C@@H]2CO)(C)O)O)(C)C |
| InChI | InChI=1S/C15H28O3/c1-13(2)6-5-7-14(3)10(13)8-12(17)15(4,18)11(14)9-16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m0/s1 |
| InChI Key | BLJQFAPBVZSBOZ-PGKPSXLWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O3 |
| Molecular Weight | 256.38 g/mol |
| Exact Mass | 256.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.51% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.73% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.82% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.52% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.13% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.69% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.41% | 96.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.95% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.32% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.18% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.04% | 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.
| Bazzania trilobata |
| PubChem | 162898715 |
| LOTUS | LTS0077509 |
| wikiData | Q104938048 |