[(2R)-5,7,10-trihydroxy-2-methyl-6-(3-methylbut-2-enyl)-4-oxo-1,3-dihydroanthracen-2-yl] acetate
| Internal ID | b168d4b6-c391-4f36-82f0-fa4e971274cd |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | [(2R)-5,7,10-trihydroxy-2-methyl-6-(3-methylbut-2-enyl)-4-oxo-1,3-dihydroanthracen-2-yl] acetate |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C3=C(CC(CC3=O)(C)OC(=O)C)C=C2C=C1O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C3=C(C[C@@](CC3=O)(C)OC(=O)C)C=C2C=C1O)O)O)C |
| InChI | InChI=1S/C22H24O6/c1-11(2)5-6-15-16(24)8-13-7-14-9-22(4,28-12(3)23)10-17(25)18(14)21(27)19(13)20(15)26/h5,7-8,24,26-27H,6,9-10H2,1-4H3/t22-/m1/s1 |
| InChI Key | FLYMKXSUGFPBQY-JOCHJYFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O6 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [(2R)-5,7,10-trihydroxy-2-methyl-6-(3-methylbut-2-enyl)-4-oxo-1,3-dihydroanthracen-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-5710-trihydroxy-2-methyl-6-3-methylbut-2-enyl-4-oxo-13-dihydroanthracen-2-yl-acetate.jpg "2D Structure of [(2R)-5,7,10-trihydroxy-2-methyl-6-(3-methylbut-2-enyl)-4-oxo-1,3-dihydroanthracen-2-yl] 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 | 99.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.53% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.62% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.71% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.46% | 86.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 91.53% | 92.68% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.42% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.07% | 91.49% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.58% | 80.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.13% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.80% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.81% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.13% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.01% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.28% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.46% | 99.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.21% | 93.03% |
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.
| Psorospermum febrifugum |
| Psorospermum glaberrimum |
| PubChem | 163020139 |
| LOTUS | LTS0071423 |
| wikiData | Q104997630 |