2-[6-(2-hydroxy-3-methylbutanoyl)oxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid
| Internal ID | 2b60b9f4-501e-4e61-9bf0-a1d38681f06b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-[6-(2-hydroxy-3-methylbutanoyl)oxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H42O5/c1-16(2)9-8-13-26(7)20-11-10-18(5)19(15-22(27)28)25(20,6)14-12-21(26)31-24(30)23(29)17(3)4/h9,17,19-21,23,29H,5,8,10-15H2,1-4,6-7H3,(H,27,28) |
| InChI Key | LNOXABRKXZUJQU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H42O5 |
| Molecular Weight | 434.60 g/mol |
| Exact Mass | 434.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 2-[6-(2-hydroxy-3-methylbutanoyl)oxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/cee60060-85de-11ee-acef-ade0b3f899c3.jpg "2D Structure of 2-[6-(2-hydroxy-3-methylbutanoyl)oxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.38% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.72% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.83% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.25% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 87.52% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.35% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.05% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.47% | 89.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.36% | 94.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.28% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.03% | 92.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.95% | 96.47% |
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 | 162815480 |
| LOTUS | LTS0121568 |
| wikiData | Q104171131 |