[(1R,4R,4aS,8aS)-4-ormyl-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate
| Internal ID | bf15b1fc-963d-42c5-aa1a-269a6f929c8f |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [(1R,4R,4aS,8aS)-4-formyl-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32O4/c1-6-7-8-9-10-12-19(25)27-18-15-17(2)23(26,16-24)22(5)14-11-13-21(3,4)20(18)22/h6-10,12,15-16,18,20,26H,11,13-14H2,1-5H3/b7-6+,9-8+,12-10+/t18-,20+,22+,23-/m1/s1 |
| InChI Key | ALVYBTWHEPTWPX-FFPWONIBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H32O4 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.60 |
| [(1R,4R,4aS,8aS)-4-ormyl-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate |
![2D Structure of [(1R,4R,4aS,8aS)-4-ormyl-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/10a9cfc0-87c2-11ee-8695-6770c07f0f1b.jpg "2D Structure of [(1R,4R,4aS,8aS)-4-ormyl-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E,6E)-octa-2,4,6-trienoate")
| 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 | 95.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.15% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.53% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.28% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.69% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.49% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.32% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.31% | 97.50% |
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 | 10809310 |
| LOTUS | LTS0041389 |
| wikiData | Q104914395 |