6-(15-Acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
| Internal ID | d6b4cc1d-1b76-4b6e-bad1-e01d17848ab9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid |
| SMILES (Canonical) | CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC(CCC=C(C)C(=O)O)C1CC(C2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)OC(=O)C |
| InChI | InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11,19,24-25,27H,9-10,12-18H2,1-8H3,(H,35,36) |
| InChI Key | WRCXINQQYBRTRH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H48O5 |
| Molecular Weight | 512.70 g/mol |
| Exact Mass | 512.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 6-(15-Acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/233ffee0-872e-11ee-aac8-8bd65cce0250.jpg "2D Structure of 6-(15-Acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 97.72% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.03% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.53% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.26% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.52% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.26% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.79% | 95.69% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.80% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.79% | 97.05% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.27% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.96% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.75% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.30% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.04% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.03% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.52% | 98.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.90% | 93.31% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.86% | 96.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.42% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.44% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.43% | 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.
| There are no matching plants. |
| PubChem | 162815870 |
| LOTUS | LTS0083915 |
| wikiData | Q104200551 |