(3-hydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl) 4-methoxybenzoate
| Internal ID | d7349dcb-0028-4585-96df-37605eb004de |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3-hydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl) 4-methoxybenzoate |
| SMILES (Canonical) | CC1=CC(=O)C2(CCC(C2C(C1)OC(=O)C3=CC=C(C=C3)OC)(C(C)C)O)C |
| SMILES (Isomeric) | CC1=CC(=O)C2(CCC(C2C(C1)OC(=O)C3=CC=C(C=C3)OC)(C(C)C)O)C |
| InChI | InChI=1S/C23H30O5/c1-14(2)23(26)11-10-22(4)19(24)13-15(3)12-18(20(22)23)28-21(25)16-6-8-17(27-5)9-7-16/h6-9,13-14,18,20,26H,10-12H2,1-5H3 |
| InChI Key | JHSUGYXTAJCJKL-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 | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.81% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.43% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.52% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.48% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.26% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.57% | 90.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 90.18% | 94.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.46% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.14% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.79% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.38% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.91% | 91.19% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.27% | 93.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.25% | 97.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.24% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.47% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
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.
| Ferula communis |
| PubChem | 14527074 |
| LOTUS | LTS0079012 |
| wikiData | Q105128210 |