5-[5-(Acetyloxymethyl)-6-hydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
| Internal ID | 14a0e3a5-d934-436a-b678-114ae0086a7f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-[5-(acetyloxymethyl)-6-hydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid |
| SMILES (Canonical) | CC1=CCC2C(C1CCC(C)CC(=O)O)(CCC(C2(C)COC(=O)C)O)C |
| SMILES (Isomeric) | CC1=CCC2C(C1CCC(C)CC(=O)O)(CCC(C2(C)COC(=O)C)O)C |
| InChI | InChI=1S/C22H36O5/c1-14(12-20(25)26)6-8-17-15(2)7-9-18-21(17,4)11-10-19(24)22(18,5)13-27-16(3)23/h7,14,17-19,24H,6,8-13H2,1-5H3,(H,25,26) |
| InChI Key | ZSZKTHHMIDRZNB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O5 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 5-[5-(Acetyloxymethyl)-6-hydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/b71c6160-84a1-11ee-9436-0df43afa3122.jpg "2D Structure of 5-[5-(Acetyloxymethyl)-6-hydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.19% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.28% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.70% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.63% | 94.45% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 93.80% | 91.65% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.09% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.81% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.53% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.99% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.72% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 84.41% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.52% | 100.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.36% | 94.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.29% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.53% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.58% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.06% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 162948306 |
| LOTUS | LTS0214687 |
| wikiData | Q105382801 |