(1S,4aR,4bR,7S,10R,10aR)-7,10-dihydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde
| Internal ID | 3750b013-906d-435d-805a-2547a48316f0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4aR,4bR,7S,10R,10aR)-7,10-dihydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde |
| SMILES (Canonical) | CC(C)C1(CCC2C(=C1)C(=O)C(C3C2(CCCC3(C)C=O)C)O)O |
| SMILES (Isomeric) | CC(C)[C@]1(CC[C@H]2C(=C1)C(=O)[C@@H]([C@@H]3[C@@]2(CCC[C@]3(C)C=O)C)O)O |
| InChI | InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(10-20)15(22)16(23)17-18(3,11-21)7-5-8-19(14,17)4/h10-12,14,16-17,23-24H,5-9H2,1-4H3/t14-,16-,17-,18+,19+,20+/m0/s1 |
| InChI Key | BBLSJYPYRJUIOA-DAJYORATSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.50 |
| 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 | 96.79% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.26% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.45% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.03% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.49% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.31% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.28% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.38% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.02% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.57% | 96.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.43% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.35% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.70% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.15% | 92.88% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.94% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.76% | 91.07% |
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.
| Juniperus chinensis |
| PubChem | 162958850 |
| LOTUS | LTS0126729 |
| wikiData | Q104922834 |