(7,8-Diformyl-5-hydroxy-3,8a-dimethyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl) 3-phenylprop-2-enoate
| Internal ID | 32882339-3ea2-4cb5-ab75-28f7d5856e1e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (7,8-diformyl-5-hydroxy-3,8a-dimethyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalen-1-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1CC(C2(C(C(=CC(C2C1=C)O)C=O)C=O)C)OC(=O)C=CC3=CC=CC=C3 |
| SMILES (Isomeric) | CC1CC(C2(C(C(=CC(C2C1=C)O)C=O)C=O)C)OC(=O)C=CC3=CC=CC=C3 |
| InChI | InChI=1S/C24H26O5/c1-15-11-21(29-22(28)10-9-17-7-5-4-6-8-17)24(3)19(14-26)18(13-25)12-20(27)23(24)16(15)2/h4-10,12-15,19-21,23,27H,2,11H2,1,3H3 |
| InChI Key | OKDTYBVVAITUOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O5 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
| 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 | 98.12% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.69% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.07% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.14% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.22% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.62% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.62% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 89.55% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.66% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.53% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.43% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.74% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.56% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.03% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.00% | 83.82% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.02% | 94.23% |
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.
| Pseudowintera axillaris |
| PubChem | 73002072 |
| LOTUS | LTS0213432 |
| wikiData | Q105193489 |