2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
| Internal ID | 738069f3-dafa-408b-9ae0-12f4af194d09 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC3C2(C(=O)CC(C3(C)C)O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CCC3C2(C(=O)CC(C3(C)C)O)C)O |
| InChI | InChI=1S/C20H28O3/c1-11(2)13-8-12-6-7-16-19(3,4)17(22)10-18(23)20(16,5)14(12)9-15(13)21/h8-9,11,16-17,21-22H,6-7,10H2,1-5H3 |
| InChI Key | MGNMRMCIMOAJTC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.90 |
| 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 | 98.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.42% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.94% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.17% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.99% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.87% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.75% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.81% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.60% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.37% | 85.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.51% | 95.62% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.35% | 91.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.98% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.00% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.83% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.72% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.41% | 93.04% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 80.39% | 93.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.07% | 85.14% |
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.
| Juniperus excelsa |
| PubChem | 73816007 |
| LOTUS | LTS0129641 |
| wikiData | Q105163461 |