4,5,10-trihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthrene-4a-carbaldehyde
| Internal ID | 1da93eeb-362b-47d3-913a-fb3e67ef694c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 4,5,10-trihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-3,4,4b,5,6,7,8,8a,10,10a-decahydro-2H-phenanthrene-4a-carbaldehyde |
| SMILES (Canonical) | CC1(CCC(C2(C1C(C(=O)C3C2C(CC(C3)C(=C)C=O)O)O)C=O)O)C |
| SMILES (Isomeric) | CC1(CCC(C2(C1C(C(=O)C3C2C(CC(C3)C(=C)C=O)O)O)C=O)O)C |
| InChI | InChI=1S/C20H28O6/c1-10(8-21)11-6-12-15(13(23)7-11)20(9-22)14(24)4-5-19(2,3)18(20)17(26)16(12)25/h8-9,11-15,17-18,23-24,26H,1,4-7H2,2-3H3 |
| InChI Key | BBLXJVHZXQWCBK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.49% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.22% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.67% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.12% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.93% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.32% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.39% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.13% | 96.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.02% | 94.75% |
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.
| Isodon rubescens |
| PubChem | 162975609 |
| LOTUS | LTS0147341 |
| wikiData | Q104922837 |