(2Z,4E,6E,8E,10Z)-10-[(3aR,5aR,7S,9aR,9bR)-7-acetyloxy-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid
| Internal ID | b75a33ae-5d9d-4e12-b2ac-79df987cfad4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2Z,4E,6E,8E,10Z)-10-[(3aR,5aR,7S,9aR,9bR)-7-acetyloxy-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H44O5/c1-20(12-10-14-22(3)29(35)36)11-9-13-21(2)28-24(34)19-26-31(7)18-16-27(37-23(4)33)30(5,6)25(31)15-17-32(26,28)8/h9-14,25-27H,15-19H2,1-8H3,(H,35,36)/b12-10+,13-9+,20-11+,22-14-,28-21+/t25-,26+,27-,31-,32+/m0/s1 |
| InChI Key | XTFWFHCPBVMHAV-PIXCUDOSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44O5 |
| Molecular Weight | 508.70 g/mol |
| Exact Mass | 508.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of (2Z,4E,6E,8E,10Z)-10-[(3aR,5aR,7S,9aR,9bR)-7-acetyloxy-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d376c920-8295-11ee-8a14-970096b01a1a.jpg "2D Structure of (2Z,4E,6E,8E,10Z)-10-[(3aR,5aR,7S,9aR,9bR)-7-acetyloxy-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.30% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.99% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.53% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.18% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.99% | 90.17% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.95% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.13% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.11% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.89% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.83% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.57% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.66% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.56% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.04% | 89.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 80.80% | 91.67% |
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 | 162886149 |
| LOTUS | LTS0183489 |
| wikiData | Q105341540 |