(6-Formyl-3-hydroxy-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 4-hydroxybenzoate
| Internal ID | 05abf175-5c44-4048-9e8f-5fcf65fcd441 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (6-formyl-3-hydroxy-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 4-hydroxybenzoate |
| SMILES (Canonical) | CC(C)C1(CCC2(C1C(CC(=CC2)C=O)OC(=O)C3=CC=C(C=C3)O)C)O |
| SMILES (Isomeric) | CC(C)C1(CCC2(C1C(CC(=CC2)C=O)OC(=O)C3=CC=C(C=C3)O)C)O |
| InChI | InChI=1S/C22H28O5/c1-14(2)22(26)11-10-21(3)9-8-15(13-23)12-18(19(21)22)27-20(25)16-4-6-17(24)7-5-16/h4-8,13-14,18-19,24,26H,9-12H2,1-3H3 |
| InChI Key | JENQPAWXVQJHSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.29% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.64% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.25% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.52% | 90.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 89.41% | 94.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.00% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.86% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.49% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.40% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.31% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.87% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.69% | 90.17% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.48% | 95.69% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.17% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.27% | 97.09% |
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.
| Ferula kuhistanica |
| PubChem | 85428860 |
| LOTUS | LTS0124177 |
| wikiData | Q105126235 |