[7-Acetyloxy-3-(7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate
| Internal ID | 19dacd03-3253-4cb7-be31-267d58aad79f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [7-acetyloxy-3-(7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H50O6/c1-21(2)13-14-26(37)22(3)11-10-12-23(4)31-27(38)19-29-32(7)18-16-30(40-25(6)36)34(9,20-39-24(5)35)28(32)15-17-33(29,31)8/h10-13,26,28-30,37H,14-20H2,1-9H3 |
| InChI Key | FDRWOTSJMOAODM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H50O6 |
| Molecular Weight | 554.80 g/mol |
| Exact Mass | 554.36073931 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of [7-Acetyloxy-3-(7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/da378910-8593-11ee-9092-2dae458e633d.jpg "2D Structure of [7-Acetyloxy-3-(7-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-ylidene)-3a,6,9a-trimethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-6-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.02% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.03% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.68% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.35% | 98.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.78% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.25% | 98.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.38% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.65% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.20% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.95% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.22% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.59% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.90% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.48% | 89.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.89% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.11% | 86.33% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 82.83% | 91.65% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.22% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.01% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.91% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.76% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.84% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.62% | 98.10% |
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 | 73999866 |
| LOTUS | LTS0124548 |
| wikiData | Q104993744 |