[3,4,5-Trihydroxy-6-[5-(5-hydroxy-5-methyl-3-methylidene-2-oxo-3a,4,6,6a-tetrahydrocyclopenta[b]furan-4-yl)-4-methyl-5-oxopentoxy]oxan-2-yl]methyl acetate
| Internal ID | c0dbd4be-41d4-4fc2-be9c-51fcef62e825 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [3,4,5-trihydroxy-6-[5-(5-hydroxy-5-methyl-3-methylidene-2-oxo-3a,4,6,6a-tetrahydrocyclopenta[b]furan-4-yl)-4-methyl-5-oxopentoxy]oxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(CCCOC1C(C(C(C(O1)COC(=O)C)O)O)O)C(=O)C2C3C(CC2(C)O)OC(=O)C3=C |
| SMILES (Isomeric) | CC(CCCOC1C(C(C(C(O1)COC(=O)C)O)O)O)C(=O)C2C3C(CC2(C)O)OC(=O)C3=C |
| InChI | InChI=1S/C23H34O11/c1-10(17(25)16-15-11(2)21(29)33-13(15)8-23(16,4)30)6-5-7-31-22-20(28)19(27)18(26)14(34-22)9-32-12(3)24/h10,13-16,18-20,22,26-28,30H,2,5-9H2,1,3-4H3 |
| InChI Key | DVXWVFXAXIIFHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H34O11 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[5-(5-hydroxy-5-methyl-3-methylidene-2-oxo-3a,4,6,6a-tetrahydrocyclopenta[b]furan-4-yl)-4-methyl-5-oxopentoxy]oxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a22100a0-85ce-11ee-a786-df8d08844d35.jpg "2D Structure of [3,4,5-Trihydroxy-6-[5-(5-hydroxy-5-methyl-3-methylidene-2-oxo-3a,4,6,6a-tetrahydrocyclopenta[b]furan-4-yl)-4-methyl-5-oxopentoxy]oxan-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.32% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.77% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.62% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.26% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.19% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.57% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.78% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.00% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.75% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.50% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.06% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.86% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.48% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.84% | 89.34% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.72% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.21% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.09% | 95.56% |
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.
| Picradeniopsis woodhousei |
| PubChem | 73799025 |
| LOTUS | LTS0167912 |
| wikiData | Q104990421 |