(7-Hydroxy-4,8,11-trimethyl-15-methylidene-3-oxo-11-tetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trienyl)methyl acetate
| Internal ID | 558720cc-2cac-4bf9-a831-51cd2c8b6aa7 |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | (7-hydroxy-4,8,11-trimethyl-15-methylidene-3-oxo-11-tetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trienyl)methyl acetate |
| SMILES (Canonical) | CC1CC2=C(C(=C3C4C(C4(C)COC(=O)C)CCC(=C)C3=C2C1=O)C)O |
| SMILES (Isomeric) | CC1CC2=C(C(=C3C4C(C4(C)COC(=O)C)CCC(=C)C3=C2C1=O)C)O |
| InChI | InChI=1S/C22H26O4/c1-10-6-7-15-19(22(15,5)9-26-13(4)23)17-12(3)21(25)14-8-11(2)20(24)18(14)16(10)17/h11,15,19,25H,1,6-9H2,2-5H3 |
| InChI Key | HSIUAOZVUZQLOY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (7-Hydroxy-4,8,11-trimethyl-15-methylidene-3-oxo-11-tetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trienyl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/09d1ca70-856e-11ee-8a9c-a31f06be5692.jpg "2D Structure of (7-Hydroxy-4,8,11-trimethyl-15-methylidene-3-oxo-11-tetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trienyl)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 | 98.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.27% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.91% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.17% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.06% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.63% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.55% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.44% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.02% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.93% | 97.93% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.54% | 91.79% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.93% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.85% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.61% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.42% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.08% | 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.
| Jatropha curcas |
| PubChem | 75599550 |
| LOTUS | LTS0062187 |
| wikiData | Q105033064 |