[(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-yl] (2E,4E,6S)-6-methylocta-2,4-dienoate
| Internal ID | 69b118f5-9716-40b8-8031-133f1b04b90f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | [(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-yl] (2E,4E,6S)-6-methylocta-2,4-dienoate |
| SMILES (Canonical) | CCC(C)C=CC=CC(=O)OC1C=CC2=CC(=O)C(=C(C)C)CC2(C1C)C |
| SMILES (Isomeric) | CC[C@H](C)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)C(=C(C)C)C[C@@]2([C@H]1C)C |
| InChI | InChI=1S/C24H32O3/c1-7-17(4)10-8-9-11-23(26)27-22-13-12-19-14-21(25)20(16(2)3)15-24(19,6)18(22)5/h8-14,17-18,22H,7,15H2,1-6H3/b10-8+,11-9+/t17-,18-,22-,24+/m0/s1 |
| InChI Key | OPSLYPDRADIUGV-ZBUJUHMUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H32O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-yl] (2E,4E,6S)-6-methylocta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/ccb3f8d0-8454-11ee-93e7-dfc978f13706.jpg "2D Structure of [(1R,2S,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,8-dihydro-1H-naphthalen-2-yl] (2E,4E,6S)-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 | 97.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.25% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.62% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.39% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.18% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.79% | 89.34% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.47% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.88% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.76% | 98.59% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.42% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.82% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.00% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.46% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.43% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.87% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.72% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.97% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.08% | 98.75% |
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 | 14705342 |
| LOTUS | LTS0222129 |
| wikiData | Q105196542 |