(8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl) 4-methoxybenzoate
| Internal ID | 0193cedc-403c-447f-a6aa-b56af9201990 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (8a-hydroxy-3a,6-dimethyl-3-oxo-1-propan-2-yl-2,4,7,8-tetrahydro-1H-azulen-4-yl) 4-methoxybenzoate |
| SMILES (Canonical) | CC1=CC(C2(C(=O)CC(C2(CC1)O)C(C)C)C)OC(=O)C3=CC=C(C=C3)OC |
| SMILES (Isomeric) | CC1=CC(C2(C(=O)CC(C2(CC1)O)C(C)C)C)OC(=O)C3=CC=C(C=C3)OC |
| InChI | InChI=1S/C23H30O5/c1-14(2)18-13-19(24)22(4)20(12-15(3)10-11-23(18,22)26)28-21(25)16-6-8-17(27-5)9-7-16/h6-9,12,14,18,20,26H,10-11,13H2,1-5H3 |
| InChI Key | UJYSKNUHBUUKAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O5 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.12% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.94% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.50% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.26% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.91% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.71% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.49% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.47% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.13% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.56% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.16% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.49% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.14% | 91.19% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.52% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.15% | 90.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.77% | 93.31% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.79% | 85.31% |
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 communis |
| PubChem | 3842432 |
| LOTUS | LTS0082889 |
| wikiData | Q105274294 |