5-[5-(Acetyloxymethyl)-7-hydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
| Internal ID | c7def819-e09b-401d-83e6-01c257d4cd3c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-[5-(acetyloxymethyl)-7-hydroxy-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O5/c1-14(10-20(25)26)6-8-18-15(2)7-9-19-21(4,13-27-16(3)23)11-17(24)12-22(18,19)5/h7,14,17-19,24H,6,8-13H2,1-5H3,(H,25,26) |
| InChI Key | GXBYKTXXIICGPG-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)-7-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/b05ab060-8325-11ee-bc01-2d544c580519.jpg "2D Structure of 5-[5-(Acetyloxymethyl)-7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.50% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.57% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.23% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.29% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.47% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.35% | 95.89% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 87.76% | 91.65% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.07% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.00% | 99.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.29% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.17% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.11% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.98% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.41% | 97.25% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.56% | 94.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.22% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.09% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 162895521 |
| LOTUS | LTS0137231 |
| wikiData | Q105022980 |