[(3R,3aS,4S,6S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,6-hexahydroazulen-4-yl] 4-hydroxybenzoate
| Internal ID | 3a0240df-d344-4a03-9b7b-11bc97eab184 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(3R,3aS,4S,6S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,6-hexahydroazulen-4-yl] 4-hydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-10,14-15,18-19,23,25H,11-13H2,1-4H3/t15-,18+,19-,21+,22-/m1/s1 |
| InChI Key | AFNSACJBBUAMGY-GYIABGQCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [(3R,3aS,4S,6S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,6-hexahydroazulen-4-yl] 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/b5525100-84f9-11ee-ad75-81f96ba6a286.jpg "2D Structure of [(3R,3aS,4S,6S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,6-hexahydroazulen-4-yl] 4-hydroxybenzoate")
| 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 | 95.40% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.57% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.95% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.87% | 91.11% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 90.45% | 94.97% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.80% | 97.79% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.76% | 97.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.61% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.28% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.20% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.96% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.92% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.52% | 91.07% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.10% | 93.10% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.10% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.55% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.30% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.91% | 93.67% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.28% | 98.35% |
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 elaeochytris |
| PubChem | 25180955 |
| LOTUS | LTS0085046 |
| wikiData | Q104911357 |