7-Isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
| Internal ID | 9cce93cb-69f9-44a0-8b0f-a87d0269e5ab |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2)(C)C)O)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2)(C)C)O)C |
| InChI | InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3 |
| InChI Key | WTHUMSLQUHCWCH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O |
| Molecular Weight | 286.50 g/mol |
| Exact Mass | 286.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.50 |
| 7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-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 | 98.28% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.30% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.18% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.61% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.12% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.72% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.46% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.24% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.99% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.57% | 97.09% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 83.26% | 93.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.24% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.22% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.22% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.08% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.89% | 85.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.80% | 91.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.63% | 97.25% |
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.
| Nepeta tuberosa |
| Vitex trifolia |
| PubChem | 495217 |
| LOTUS | LTS0024594 |
| wikiData | Q105312553 |