1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
| Internal ID | 18386977-bd52-431c-a93b-233c9740fd5e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)CO)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)CO)C |
| InChI | InChI=1S/C20H28O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,18,21H,5,8-9,11-12H2,1-4H3 |
| InChI Key | PRZSMDYEVUSNJM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.60 |
| 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 | 98.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.32% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.68% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.65% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.18% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.87% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.01% | 82.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.95% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.97% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.42% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.29% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.83% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.81% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.75% | 90.24% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.47% | 99.15% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.32% | 96.77% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.04% | 97.79% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.44% | 95.71% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.35% | 97.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.64% | 94.80% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.58% | 85.11% |
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.
| Cedrus atlantica |
| Juniperus brevifolia |
| Larix kaempferi |
| Pinus densiflora |
| Pinus yunnanensis |
| PubChem | 85296036 |
| LOTUS | LTS0151331 |
| wikiData | Q105214038 |