(5-Hydroxy-8-methylidene-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-4a-yl)methyl acetate
| Internal ID | d0999dda-27a5-4c0f-8383-0cae47bc1e3d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (5-hydroxy-8-methylidene-2-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-4a-yl)methyl acetate |
| SMILES (Canonical) | CC(=C)C1CCC2(C(CCC(=C)C2C1)O)COC(=O)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C(CCC(=C)C2C1)O)COC(=O)C |
| InChI | InChI=1S/C17H26O3/c1-11(2)14-7-8-17(10-20-13(4)18)15(9-14)12(3)5-6-16(17)19/h14-16,19H,1,3,5-10H2,2,4H3 |
| InChI Key | FFSBQNWOSWMMLU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O3 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.75% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.68% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.99% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.22% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.20% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.39% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.30% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.93% | 98.95% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 82.15% | 91.65% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.41% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.96% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.86% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.62% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.35% | 100.00% |
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.
| Polyachyrus sphaerocephalus |
| PubChem | 14890302 |
| LOTUS | LTS0223870 |
| wikiData | Q104994643 |