(4aR,10R,10aS)-6,10-dihydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
| Internal ID | 84ac1391-388a-4670-8fc7-96b9dfe32aa8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR,10R,10aS)-6,10-dihydroxy-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(C3C(C2)O)(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@@]3(CCC(=O)C([C@H]3[C@@H](C2)O)(C)C)C |
| InChI | InChI=1S/C18H24O3/c1-10-7-11-8-14(20)16-17(2,3)15(21)5-6-18(16,4)12(11)9-13(10)19/h7,9,14,16,19-20H,5-6,8H2,1-4H3/t14-,16-,18+/m1/s1 |
| InChI Key | CRCGZPVGNSFIDX-KYJSFNMBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H24O3 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 2.90 |
| (4aR,10R,10aS)-6,10-dihydroxy-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| 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% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.09% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.16% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.39% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.22% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.82% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.84% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.66% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.79% | 94.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.98% | 97.93% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.82% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.67% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.98% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.86% | 82.69% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.39% | 95.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.38% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.35% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.58% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.44% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.38% | 90.00% |
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.
| Flueggea virosa |
| PubChem | 76321017 |
| LOTUS | LTS0120945 |
| wikiData | Q104968445 |