Methyl 3,21-diacetyloxy-2,13,20,25-tetrahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate
| Internal ID | a35e04ca-5937-4796-b4af-55d4a6decc3f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | methyl 3,21-diacetyloxy-2,13,20,25-tetrahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate |
| SMILES (Canonical) | CC1C(C(CC2C13COC(C24CCC5(C(C4C(C3O)OC(=O)C)(CCC6(C5(CC(=C)CC6)O)C)C)C(=O)OC)O)O)OC(=O)C |
| SMILES (Isomeric) | CC1C(C(CC2C13COC(C24CCC5(C(C4C(C3O)OC(=O)C)(CCC6(C5(CC(=C)CC6)O)C)C)C(=O)OC)O)O)OC(=O)C |
| InChI | InChI=1S/C34H50O11/c1-17-8-9-29(5)10-11-30(6)25-24(45-20(4)36)26(38)32-16-43-27(39)31(25,12-13-33(30,28(40)42-7)34(29,41)15-17)22(32)14-21(37)23(18(32)2)44-19(3)35/h18,21-27,37-39,41H,1,8-16H2,2-7H3 |
| InChI Key | LBYHDBWAAYDSNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H50O11 |
| Molecular Weight | 634.80 g/mol |
| Exact Mass | 634.33531241 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of Methyl 3,21-diacetyloxy-2,13,20,25-tetrahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/28b6e5e0-85f1-11ee-b24b-c579e2254dd1.jpg "2D Structure of Methyl 3,21-diacetyloxy-2,13,20,25-tetrahydroxy-5,8,22-trimethyl-11-methylidene-24-oxahexacyclo[15.5.3.01,18.04,17.05,14.08,13]pentacosane-14-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.05% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.25% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.22% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.20% | 85.14% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 89.12% | 95.52% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.99% | 89.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.99% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.20% | 95.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.05% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.44% | 91.19% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.15% | 95.00% |
| CHEMBL1859 | O95180 | Voltage-gated T-type calcium channel alpha-1H subunit | 86.20% | 98.57% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.91% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.59% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.39% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.33% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 82.18% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.56% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.65% | 89.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.31% | 98.99% |
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.
| Galphimia glauca |
| PubChem | 75146135 |
| LOTUS | LTS0179018 |
| wikiData | Q105149694 |