(4aS,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
| Internal ID | 0fbadd9b-1530-498f-be09-6024af6d9f49 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,10aR)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCC(=O)C3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)O |
| InChI | InChI=1S/C20H28O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17,21H,6-9H2,1-5H3/t17-,20+/m0/s1 |
| InChI Key | QBSIRAFQXBAHET-FXAWDEMLSA-N |
| Popularity | 1 reference 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 | 4.90 |
| 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 | 98.53% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.16% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.57% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.76% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.40% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.98% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.51% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.99% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.29% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.69% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.97% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.41% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.94% | 99.23% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.87% | 95.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.41% | 93.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.96% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.30% | 91.19% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.28% | 93.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.07% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.05% | 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.
| Chamaecyparis formosensis |
| Chamaecyparis obtusa |
| Cupressus sempervirens |
| Cupressus torulosa |
| Juniperus thurifera |
| Salvia multicaulis |
| Tetraclinis articulata |
| Thuja occidentalis |
| PubChem | 11700871 |
| LOTUS | LTS0105740 |
| wikiData | Q104253841 |