(2R)-3-[(E)-2-[(1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one
| Internal ID | 0bbae76d-045a-4754-a3c4-655e042fd036 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Cheilanthane sesterterpenoids |
| IUPAC Name | (2R)-3-[(E)-2-[(1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC(=C)C3C=CC4=CC(=O)OC4O)C)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@@H]1CC[C@]3([C@H]2CCC(=C)[C@H]3/C=C/C4=CC(=O)O[C@H]4O)C)(C)C |
| InChI | InChI=1S/C25H36O3/c1-16-7-10-20-24(4,18(16)9-8-17-15-21(26)28-22(17)27)14-11-19-23(2,3)12-6-13-25(19,20)5/h8-9,15,18-20,22,27H,1,6-7,10-14H2,2-5H3/b9-8+/t18-,19+,20-,22-,24-,25+/m1/s1 |
| InChI Key | YFUNKUDHWJXNSX-VGQHLVOFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O3 |
| Molecular Weight | 384.60 g/mol |
| Exact Mass | 384.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2R)-3-[(E)-2-[(1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/9789e360-857e-11ee-bd17-61f04341b65b.jpg "2D Structure of (2R)-3-[(E)-2-[(1R,4aS,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]ethenyl]-2-hydroxy-2H-furan-5-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 | 97.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.65% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.48% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.90% | 94.75% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.04% | 99.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.43% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.29% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.62% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.10% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.44% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.22% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.66% | 96.43% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.29% | 95.92% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.79% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.27% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 163036305 |
| LOTUS | LTS0221402 |
| wikiData | Q105347804 |