(4aR,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
| Internal ID | 7226d66a-ceb0-469e-b5e5-dc69c090ae5d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)[C@@]3(CCCC([C@@H]3CC2)(C)C)C |
| InChI | InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-/m0/s1 |
| InChI Key | QUUCYKKMFLJLFS-ICSRJNTNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30 |
| Molecular Weight | 270.50 g/mol |
| Exact Mass | 270.234750957 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 7.10 |
| 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 | 98.41% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.17% | 97.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.87% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.74% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.15% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.57% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.64% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.44% | 95.93% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.44% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.47% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.18% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.00% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.99% | 97.09% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.42% | 90.24% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 82.66% | 93.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.94% | 94.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.81% | 96.38% |
| CHEMBL268 | P43235 | Cathepsin K | 81.80% | 96.85% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.72% | 89.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.09% | 91.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.91% | 93.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.05% | 82.69% |
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.
| Abies alba |
| Cedrus libani |
| Picea abies |
| Thujopsis dolabrata |
| PubChem | 162854594 |
| LOTUS | LTS0221834 |
| wikiData | Q105228434 |