(3-Hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 3-hydroxy-4-methoxybenzoate
| Internal ID | e3dcc1fb-ed4e-4437-8e3d-8d2494e00ca5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl) 3-hydroxy-4-methoxybenzoate |
| SMILES (Canonical) | CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC(=C(C=C3)OC)O)(C(C)C)O)C |
| SMILES (Isomeric) | CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC(=C(C=C3)OC)O)(C(C)C)O)C |
| InChI | InChI=1S/C23H32O5/c1-14(2)23(26)11-10-22(4)9-8-15(3)12-19(20(22)23)28-21(25)16-6-7-18(27-5)17(24)13-16/h6-8,13-14,19-20,24,26H,9-12H2,1-5H3 |
| InChI Key | BEKZGSZBVDHRTH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O5 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.50 |
| Oprea1_395738 |
| HMS661P20 |
| SR-01000530491 |
| SR-01000530491-1 |
| 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 | 96.57% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.71% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.43% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.40% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.34% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.30% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.87% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.16% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.75% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.14% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.05% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.03% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.79% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.14% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.53% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.28% | 90.24% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 83.22% | 95.69% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.98% | 89.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.31% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.26% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.34% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.17% | 97.14% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.86% | 92.98% |
| CHEMBL3194 | P02766 | Transthyretin | 80.81% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.80% | 90.20% |
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 jaeschkeana |
| Ferula kuhistanica |
| Ferula ovina |
| Ferula tatarica |
| Ferula tenuisecta |
| PubChem | 4524229 |
| LOTUS | LTS0077200 |
| wikiData | Q104391661 |