(4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
| Internal ID | eca58199-c121-47de-b786-812085bc34e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C3(CCC(=O)C(C3CC2)(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@]3(CCC(=O)C([C@@H]3CC2)(C)C)C |
| InChI | InChI=1S/C18H24O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15,19H,5-8H2,1-4H3/t15-,18+/m0/s1 |
| InChI Key | MBULUNFSSAYJCH-MAUKXSAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24O2 |
| Molecular Weight | 272.40 g/mol |
| Exact Mass | 272.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 4.10 |
| 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 | 97.69% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.72% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.01% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.32% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.84% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.90% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.04% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.32% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.00% | 93.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.89% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.67% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.70% | 90.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.08% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.60% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.00% | 93.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.67% | 97.09% |
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.
| Hugonia castaneifolia |
| Jatropha curcas |
| PubChem | 11623192 |
| LOTUS | LTS0037226 |
| wikiData | Q105160964 |