7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
| Internal ID | eccf8148-a40f-4733-b9a3-89a661b642b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1CCC3C2(CCC(=O)C3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1CCC3C2(CCC(=O)C3(C)C)C)O |
| InChI | InChI=1S/C20H28O2/c1-12(2)18-13-6-9-16-19(3,4)17(22)10-11-20(16,5)14(13)7-8-15(18)21/h7-8,12,16,21H,6,9-11H2,1-5H3 |
| InChI Key | AOHUEFCBXPOOLQ-UHFFFAOYSA-N |
| Popularity | 0 references 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 |
| Totarolone |
| Shonanol |
| 3-Oxototarol |
| AOHUEFCBXPOOLQ-UHFFFAOYSA-N |
| 7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| 13-Hydroxy-14-isopropylpodocarpa-8,11,13-trien-3-one # |
| 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-7-hydroxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS-trans)- |
| 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 | 98.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.84% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.57% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.46% | 99.15% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.97% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.20% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.64% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.07% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.83% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.98% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.90% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.11% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.07% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.87% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.46% | 93.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.35% | 91.49% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.17% | 96.12% |
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.
| Calocedrus formosana |
| Chamaecyparis formosensis |
| Cupressus sempervirens |
| Juniperus chinensis |
| Juniperus formosana |
| Tetraclinis articulata |
| PubChem | 625254 |
| LOTUS | LTS0133627 |
| wikiData | Q104915673 |