2,7-dihydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
| Internal ID | aa473522-6b2a-4bf1-84dc-741a204e7c90 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2,7-dihydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1CCC3C2(C(=O)CC(C3(C)C)O)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1CCC3C2(C(=O)CC(C3(C)C)O)C)O |
| InChI | InChI=1S/C20H28O3/c1-11(2)18-12-6-9-15-19(3,4)16(22)10-17(23)20(15,5)13(12)7-8-14(18)21/h7-8,11,15-16,21-22H,6,9-10H2,1-5H3 |
| InChI Key | LJXHYQQINUCYMF-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 | 98.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.24% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.10% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.94% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.13% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.81% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.22% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.12% | 96.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.11% | 85.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.77% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.55% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.13% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.88% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.74% | 97.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.24% | 91.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.91% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.16% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.83% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.63% | 93.99% |
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.
| Chamaecyparis formosensis |
| Juniperus chinensis |
| PubChem | 85139814 |
| LOTUS | LTS0146836 |
| wikiData | Q105152886 |