7-Benzylidene-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione
| Internal ID | fb3ef220-2456-4915-b956-b8d90831254b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-benzylidene-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H32O2/c1-24(2)20-10-11-27-13-12-25(3,17-27)22(28)15-21(27)26(20,4)16-19(23(24)29)14-18-8-6-5-7-9-18/h5-9,12-14,20-21H,10-11,15-17H2,1-4H3 |
| InChI Key | CTIJTPTTYGXFDU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O2 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 7-Benzylidene-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/7-benzylidene-55913-tetramethyltetracyclo11210110049hexadec-14-ene-612-dione.jpg "2D Structure of 7-Benzylidene-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-6,12-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.39% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.76% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.35% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.58% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.50% | 85.30% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.68% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.18% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.15% | 94.75% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.27% | 92.51% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.49% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.46% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.73% | 94.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.31% | 97.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.28% | 97.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.43% | 97.05% |
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.
| Androstachys johnsonii |
| PubChem | 162902266 |
| LOTUS | LTS0084506 |
| wikiData | Q104969805 |