(2S,4aS,10aS)-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
| Internal ID | 13cb4f64-484f-47ac-bf85-039fe7eb8762 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2S,4aS,10aS)-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1CCC3C2(CCC(C3(C)C)O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1CC[C@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)O |
| InChI | InChI=1S/C20H30O2/c1-12(2)18-13-6-9-16-19(3,4)17(22)10-11-20(16,5)14(13)7-8-15(18)21/h7-8,12,16-17,21-22H,6,9-11H2,1-5H3/t16-,17+,20-/m1/s1 |
| InChI Key | NORGIWDZGWMMGU-FUHIMQAGSA-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 | 5.20 |
| 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 | 98.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.05% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.98% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.94% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.78% | 90.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.14% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.71% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.56% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.67% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.41% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.61% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.76% | 93.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.66% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.94% | 94.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.06% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.72% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.91% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.77% | 95.93% |
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.
| Nageia nagi |
| PubChem | 163005909 |
| LOTUS | LTS0002770 |
| wikiData | Q105182724 |