(4bS,8aS)-2-[(2S)-1-hydroxypropan-2-yl]-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
| Internal ID | 68dbe2e5-5040-491f-be8e-4c156d2522cd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4bS,8aS)-2-[(2S)-1-hydroxypropan-2-yl]-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O2/c1-13(12-21)15-10-14-6-7-18-19(2,3)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t13-,18+,20-/m1/s1 |
| InChI Key | HHUCTBWMRRWQII-ORPRQENYSA-N |
| Popularity | 2 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 | 5.50 |
| There are no found synonyms. |
![2D Structure of (4bS,8aS)-2-[(2S)-1-hydroxypropan-2-yl]-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/4bs8as-2-2s-1-hydroxypropan-2-yl-4b88-trimethyl-5678a910-hexahydrophenanthren-3-ol.jpg "2D Structure of (4bS,8aS)-2-[(2S)-1-hydroxypropan-2-yl]-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol")
| 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 | 99.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.92% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.89% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.31% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.75% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.42% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.70% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.39% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.88% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.40% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.07% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.05% | 96.38% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.76% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.28% | 92.94% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.24% | 99.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.90% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.98% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.76% | 91.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.01% | 93.40% |
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.
| Isodon flavidus |
| PubChem | 13819746 |
| LOTUS | LTS0078533 |
| wikiData | Q105028576 |