(2S,4aS,9R,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,9-diol
| Internal ID | 04deae29-a505-4be0-a94d-b0d23dc389b6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S,4aS,9R,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,9-diol |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2O)(C)C)O)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)[C@]3(CC[C@@H](C([C@@H]3C[C@H]2O)(C)C)O)C |
| InChI | InChI=1S/C20H30O2/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(3,4)18(22)8-9-20(15,17)5/h6-7,10,12,16-18,21-22H,8-9,11H2,1-5H3/t16-,17+,18+,20-/m1/s1 |
| InChI Key | LVLOAIXQFWCRNC-DOADOZAASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.96% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.91% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.25% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.43% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.74% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.66% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.83% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.72% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.59% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.33% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.25% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.91% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.77% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.28% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.11% | 91.03% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.94% | 93.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.78% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.87% | 95.88% |
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.
| Juniperus sabina |
| PubChem | 101552746 |
| LOTUS | LTS0190762 |
| wikiData | Q105157908 |