(1S,2S,3S)-1,8-Dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydroa nthracene-2-carboperoxoic acid
| Internal ID | ee0d0539-353a-4d11-9a3c-3f776ce7181d |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | (1S,2S,3S)-1,8-dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-2,3-dihydroanthracene-2-carboperoxoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O6/c1-11(2)7-8-21(25)16-10-14-13(5-4-6-17(14)22)9-15(16)19(23)12(3)18(21)20(24)27-26/h4-6,9-12,18,22,25-26H,7-8H2,1-3H3/t12-,18+,21+/m0/s1 |
| InChI Key | STXVCFZKJAHSFN-VXOKYEDTSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 3.80 |
| (1S,2S,3S)-1,8-DIHYDROXY-3-METHYL-1-(3-METHYLBUTYL)-4-OXO-2,3-DIHYDROA NTHRACENE-2-CARBOPEROXOIC ACID |
| DTXSID20918491 |
| 1,8-Dihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-1,2,3,4-tetrahydroanthracene-2-carboperoxoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.68% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.09% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.93% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.06% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.36% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.69% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.92% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.53% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.46% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.59% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.45% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.04% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.06% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.03% | 93.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.57% | 85.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.81% | 96.00% |
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.
| Tiliacora acuminata |
| Tiliacora funifera |
| Tiliacora triandra |
| PubChem | 146415 |
| LOTUS | LTS0100847 |
| wikiData | Q104986973 |