(16-Acetyloxy-3,4,8,14-tetrahydroxy-5,9-dimethyl-13-methylidene-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl)methyl acetate
| Internal ID | 7b348fe1-0149-457e-8f0e-ff1ea540cab2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | (16-acetyloxy-3,4,8,14-tetrahydroxy-5,9-dimethyl-13-methylidene-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl)methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O8/c1-12-15-8-17-22(5)18(27)6-7-21(4,11-31-13(2)25)24(22,30)19(28)10-23(17,20(12)29)9-16(15)32-14(3)26/h15-20,27-30H,1,6-11H2,2-5H3 |
| InChI Key | CEGHAYYZUMBQBJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of (16-Acetyloxy-3,4,8,14-tetrahydroxy-5,9-dimethyl-13-methylidene-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d21e4b60-85be-11ee-9632-bb872765f1ef.jpg "2D Structure of (16-Acetyloxy-3,4,8,14-tetrahydroxy-5,9-dimethyl-13-methylidene-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl)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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.97% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.81% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.58% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.32% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.44% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.51% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.72% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.11% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.60% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.33% | 100.00% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 87.50% | 91.65% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.24% | 94.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.01% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.08% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.41% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.35% | 96.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.11% | 94.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.09% | 94.08% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.05% | 97.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.02% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.97% | 95.89% |
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.
| Lepidolaena clavigera |
| PubChem | 163022949 |
| LOTUS | LTS0122356 |
| wikiData | Q104955646 |