5,8-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
| Internal ID | 86aa0c2c-574b-4d84-90dc-afd2381237b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5,8-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=CC(=C2C(=C1O)C(=O)CC3C2(CCCC3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=CC(=C2C(=C1O)C(=O)CC3C2(CCCC3(C)C)C)O |
| InChI | InChI=1S/C20H28O3/c1-11(2)12-9-14(22)17-16(18(12)23)13(21)10-15-19(3,4)7-6-8-20(15,17)5/h9,11,15,22-23H,6-8,10H2,1-5H3 |
| InChI Key | LMFYRQDVRPKEPM-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 | 5.80 |
| 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 | 99.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.45% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.37% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.93% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.71% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.89% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.86% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.81% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.82% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.17% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.66% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.33% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.15% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.03% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.29% | 93.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.63% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.26% | 85.14% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.98% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.58% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.39% | 93.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.95% | 85.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.86% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.81% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.31% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.29% | 92.88% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.05% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.90% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.77% | 93.04% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.66% | 91.03% |
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 obtusa |
| Clerodendrum kaichianum |
| Cryptomeria japonica |
| PubChem | 85179015 |
| LOTUS | LTS0146419 |
| wikiData | Q105153960 |