[5,6,8a-trimethyl-5-(3-methylidenepent-4-enyl)-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
| Internal ID | 2327cd68-41c5-4734-a4b1-9f2e7e796bc2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | [5,6,8a-trimethyl-5-(3-methylidenepent-4-enyl)-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(=C)C=C)CC(=O)C=C2COC(=O)C)C |
| SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC(=C)C=C)CC(=O)C=C2COC(=O)C)C |
| InChI | InChI=1S/C22H32O3/c1-7-15(2)8-10-21(5)16(3)9-11-22(6)18(14-25-17(4)23)12-19(24)13-20(21)22/h7,12,16,20H,1-2,8-11,13-14H2,3-6H3 |
| InChI Key | BRFARSLUCQLZHA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O3 |
| Molecular Weight | 344.50 g/mol |
| Exact Mass | 344.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [5,6,8a-trimethyl-5-(3-methylidenepent-4-enyl)-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/374f1c10-8603-11ee-993f-cdf7f5a2f893.jpg "2D Structure of [5,6,8a-trimethyl-5-(3-methylidenepent-4-enyl)-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.72% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.05% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.99% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.46% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.23% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.51% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.10% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.14% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.90% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.88% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.44% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.13% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.90% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.39% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.74% | 91.49% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.39% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.09% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
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.
| Monodora undulata |
| PubChem | 14705619 |
| LOTUS | LTS0057010 |
| wikiData | Q104944754 |