(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-1,3,9-triol
| Internal ID | f899bd1b-b62f-414d-a3f1-935570a457d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-1,3,9-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O3/c1-11(2)16-14(21)10-13-12(17(16)23)9-15(22)18-19(3,4)7-6-8-20(13,18)5/h9-11,18,21-23H,6-8H2,1-5H3/t18-,20+/m0/s1 |
| InChI Key | HNBTUSPEVSBACH-AZUAARDMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 5.50 |
| 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 | 99.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.22% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.03% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.82% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.53% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.99% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.94% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.08% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.85% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.90% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.13% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.76% | 93.40% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.49% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.32% | 100.00% |
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.
| Salvia napifolia |
| PubChem | 15241258 |
| LOTUS | LTS0164767 |
| wikiData | Q105030798 |