(1-Acetyloxy-8-benzoyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 4-methylbenzoate
| Internal ID | 56285198-d06d-421c-85af-45724d0da233 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1-acetyloxy-8-benzoyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 4-methylbenzoate |
| SMILES (Canonical) | CC1=CC(C2(C(CC(C2C(C1)OC(=O)C3=CC=C(C=C3)C)(C(C)C)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4 |
| SMILES (Isomeric) | CC1=CC(C2(C(CC(C2C(C1)OC(=O)C3=CC=C(C=C3)C)(C(C)C)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4 |
| InChI | InChI=1S/C32H38O7/c1-19(2)32(36)18-27(37-22(5)33)31(6)26(39-30(35)23-10-8-7-9-11-23)17-21(4)16-25(28(31)32)38-29(34)24-14-12-20(3)13-15-24/h7-15,17,19,25-28,36H,16,18H2,1-6H3 |
| InChI Key | JVJJYURKKDZRPO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H38O7 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 5.90 |
| 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 | 98.15% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.46% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.36% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.00% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.10% | 86.33% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 89.38% | 97.53% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.03% | 91.19% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.03% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.56% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.13% | 91.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.99% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 85.72% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.47% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.27% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.07% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.36% | 96.47% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.27% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.97% | 97.14% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.80% | 83.00% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 80.20% | 92.17% |
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.
| Daucus carota |
| PubChem | 163066013 |
| LOTUS | LTS0201264 |
| wikiData | Q105135778 |