[2-hydroxy-1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl acetate
| Internal ID | 7a47c444-f34f-416a-a621-faffb079cf00 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Cheilanthane sesterterpenoids |
| IUPAC Name | [2-hydroxy-1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CCC2C3(CCCC(C3CCC2(C1C=CC4=CC(=O)OC4O)C)(C)C)C)O |
| SMILES (Isomeric) | CC(=O)OCC1(CCC2C3(CCCC(C3CCC2(C1C=CC4=CC(=O)OC4O)C)(C)C)C)O |
| InChI | InChI=1S/C27H40O6/c1-17(28)32-16-27(31)14-10-20-25(4)12-6-11-24(2,3)19(25)9-13-26(20,5)21(27)8-7-18-15-22(29)33-23(18)30/h7-8,15,19-21,23,30-31H,6,9-14,16H2,1-5H3 |
| InChI Key | BPTQNEYHUCKNPL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O6 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [2-hydroxy-1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/354e6940-85bf-11ee-8995-a38ce001448e.jpg "2D Structure of [2-hydroxy-1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethenyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-yl]methyl acetate")
| 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 | 98.28% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.06% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.69% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.67% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.61% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.16% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.22% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.13% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.35% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.26% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 81.26% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.04% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 85082121 |
| LOTUS | LTS0218780 |
| wikiData | Q104943972 |