[7-hydroxy-1,8a-dimethyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-2,8-dihydro-1H-naphthalen-2-yl] 6-methylocta-2,4-dienoate
| Internal ID | 67974e14-4a90-418c-b1ca-d617b1bfa380 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | [7-hydroxy-1,8a-dimethyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-2,8-dihydro-1H-naphthalen-2-yl] 6-methylocta-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O5/c1-6-16(2)9-7-8-10-22(27)29-20-12-11-19-13-21(26)24(28,17(3)14-25)15-23(19,5)18(20)4/h7-14,16,18,20,28H,3,6,15H2,1-2,4-5H3 |
| InChI Key | GIUVFWDLNFDKHT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O5 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [7-hydroxy-1,8a-dimethyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-2,8-dihydro-1H-naphthalen-2-yl] 6-methylocta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/b39653b0-85f6-11ee-95ad-83defa60a5f4.jpg "2D Structure of [7-hydroxy-1,8a-dimethyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-2,8-dihydro-1H-naphthalen-2-yl] 6-methylocta-2,4-dienoate")
| 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 | 98.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.52% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.47% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.87% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.01% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.78% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.10% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.45% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.41% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.79% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.67% | 91.19% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.51% | 80.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.33% | 97.79% |
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.
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| There are no matching plants. |
| PubChem | 72747379 |
| LOTUS | LTS0083583 |
| wikiData | Q104974550 |