(5-Hydroxy-3,3,7b-trimethyl-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-5-yl)methyl acetate
| Internal ID | 8b61c57d-b28a-4dde-b818-59062d498426 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (5-hydroxy-3,3,7b-trimethyl-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-5-yl)methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CCC2C1CC(CC3C2(C3)C)(C)C)O |
| SMILES (Isomeric) | CC(=O)OCC1(CCC2C1CC(CC3C2(C3)C)(C)C)O |
| InChI | InChI=1S/C17H28O3/c1-11(18)20-10-17(19)6-5-13-14(17)9-15(2,3)7-12-8-16(12,13)4/h12-14,19H,5-10H2,1-4H3 |
| InChI Key | ZGJFNBIKZCBSCT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (5-Hydroxy-3,3,7b-trimethyl-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-5-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-337b-trimethyl-11a244a677a-octahydrocyclopropaeazulen-5-ylmethyl-acetate.jpg "2D Structure of (5-Hydroxy-3,3,7b-trimethyl-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulen-5-yl)methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.04% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.72% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.04% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.72% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.10% | 91.11% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.88% | 89.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.73% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.62% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.07% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.86% | 94.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.03% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.23% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.97% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.67% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.19% | 95.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.16% | 98.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73819954 |
| LOTUS | LTS0082103 |
| wikiData | Q105375239 |