7-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4b,7,10a-trimethyl-1-methylidene-5,6,8,8a,9,10-hexahydro-4aH-phenanthren-2-one
| Internal ID | 41a8ec40-080e-4035-b2f1-25de8a3f5532 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4b,7,10a-trimethyl-1-methylidene-5,6,8,8a,9,10-hexahydro-4aH-phenanthren-2-one |
| SMILES (Canonical) | CC1(OCC(O1)C2(CCC3(C(C2)CCC4(C3C=C(C(=O)C4=C)O)C)C)C)C |
| SMILES (Isomeric) | CC1(OCC(O1)C2(CCC3(C(C2)CCC4(C3C=C(C(=O)C4=C)O)C)C)C)C |
| InChI | InChI=1S/C23H34O4/c1-14-19(25)16(24)11-17-22(14,5)8-7-15-12-21(4,9-10-23(15,17)6)18-13-26-20(2,3)27-18/h11,15,17-18,24H,1,7-10,12-13H2,2-6H3 |
| InChI Key | ZSHQMAXCSQBQPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O4 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.20 |
| 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 | 98.58% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.15% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.05% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.24% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.95% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.53% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.03% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.07% | 96.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.95% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.73% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.01% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.98% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.86% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.84% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.50% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.32% | 93.40% |
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.
| Endospermum diadenum |
| Isodon lophanthoides |
| PubChem | 162924179 |
| LOTUS | LTS0171561 |
| wikiData | Q105238406 |