3,8-Dimethyl-5-(methylethyl)-1,4,5,6,7,3a-hexahydroazulen-6-yl 4-hydroxy-3-met hoxybenzoate
| Internal ID | 9a637a0a-60ef-452f-8b53-3978fd678e57 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3,8-dimethyl-5-propan-2-yl-1,3a,4,5,6,7-hexahydroazulen-6-yl) 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O4/c1-13(2)18-12-19-14(3)6-8-17(19)15(4)10-21(18)27-23(25)16-7-9-20(24)22(11-16)26-5/h6-7,9,11,13,18-19,21,24H,8,10,12H2,1-5H3 |
| InChI Key | YDLFKPPITJZFOQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H30O4 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 97.60% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.55% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.14% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.78% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.28% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.50% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.34% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.77% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.27% | 95.56% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 87.13% | 97.53% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.51% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 84.50% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.37% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.06% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.51% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.47% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.26% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.76% | 97.14% |
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 kyzylkumica |
| PubChem | 23852595 |
| LOTUS | LTS0064942 |
| wikiData | Q105346801 |