(4aR,4bS,7S,8aR,10R,10aS)-7-ethenyl-2,10-dihydroxy-1,4b,7,10a-tetramethyl-4,4a,5,6,8,8a,9,10-octahydrophenanthren-3-one
| Internal ID | 700a75d3-669b-4353-b224-a0bb19578e70 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | (4aR,4bS,7S,8aR,10R,10aS)-7-ethenyl-2,10-dihydroxy-1,4b,7,10a-tetramethyl-4,4a,5,6,8,8a,9,10-octahydrophenanthren-3-one |
| SMILES (Canonical) | CC1=C(C(=O)CC2C1(C(CC3C2(CCC(C3)(C)C=C)C)O)C)O |
| SMILES (Isomeric) | CC1=C(C(=O)C[C@H]2[C@@]1([C@@H](C[C@@H]3[C@@]2(CC[C@](C3)(C)C=C)C)O)C)O |
| InChI | InChI=1S/C20H30O3/c1-6-18(3)7-8-19(4)13(11-18)9-16(22)20(5)12(2)17(23)14(21)10-15(19)20/h6,13,15-16,22-23H,1,7-11H2,2-5H3/t13-,15+,16+,18-,19-,20+/m0/s1 |
| InChI Key | XCWHILSPPMJDID-RLYCNOAYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 4.20 |
| 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 | 93.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.50% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.48% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.88% | 94.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.58% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.51% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.47% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.12% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.52% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.16% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.96% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.89% | 93.03% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.67% | 97.33% |
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.
| Rondeletia panamensis |
| PubChem | 163003450 |
| LOTUS | LTS0121716 |
| wikiData | Q105325472 |