methyl 5-(4,5-diacetyloxy-3-methylidenepentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
| Internal ID | b45cdb83-94e9-4d70-8627-f1d59a825949 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 5-(4,5-diacetyloxy-3-methylidenepentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate |
| SMILES (Canonical) | CC(=O)OCC(C(=C)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OCC(C(=C)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)OC)C)OC(=O)C |
| InChI | InChI=1S/C25H38O6/c1-16-10-12-22-24(5,13-8-14-25(22,6)23(28)29-7)20(16)11-9-17(2)21(31-19(4)27)15-30-18(3)26/h20-22H,1-2,8-15H2,3-7H3 |
| InChI Key | ARIHUQLCVUPYQK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O6 |
| Molecular Weight | 434.60 g/mol |
| Exact Mass | 434.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.79% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.39% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.89% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.06% | 82.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.73% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.44% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.00% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.48% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.12% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.66% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.41% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.21% | 94.33% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.88% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.87% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.83% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.28% | 92.50% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.99% | 89.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.92% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.60% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.57% | 95.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.81% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.39% | 97.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.31% | 96.77% |
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.
| Juniperus communis |
| PubChem | 162955751 |
| LOTUS | LTS0140368 |
| wikiData | Q104917329 |