Asterriquinone SU-5503
| Internal ID | 4ba6ab61-5574-457a-8536-f78ed610d530 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | 3-[2,5-dihydroxy-4-[2-(3-methylbut-2-enyl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H30N2O6/c1-16(2)12-14-22-24(18-8-5-6-11-21(18)34-22)26-29(36)31(38)27(32(39)30(26)37)25-19-9-7-10-20(33(40)41)28(19)35-23(25)15-13-17(3)4/h5-13,34-36,39H,14-15H2,1-4H3,(H,40,41) |
| InChI Key | PIXWEIAVORPJGI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H30N2O6 |
| Molecular Weight | 550.60 g/mol |
| Exact Mass | 550.21038668 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 6.70 |
| 3-[2,5-dihydroxy-4-[2-(3-methylbut-2-enyl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid |
| 3-(2,5-dihydroxy-4-(2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(3-methylbut-2-en-1-yl)-1H-indole-7-carboxylate |
| 3-(2,5-dihydroxy-4-(2-(3-methylbut-2-enyl)-1H-indol-3-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(3-methylbut-2-enyl)-1H-indole-7-carboxylic acid |
| 3-{2,5-dihydroxy-4-[2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl}-2-(3-methylbut-2-en-1-yl)-1H-indole-7-carboxylate |
| RefChem:115307 |
| CHEBI:201204 |
| 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 | 98.64% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.74% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.42% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.56% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.99% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.67% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.91% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.71% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.33% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.38% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.03% | 88.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.94% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.62% | 95.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.49% | 93.03% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.50% | 94.62% |
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.
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| There are no matching plants. |
| PubChem | 139584265 |
| LOTUS | LTS0234653 |
| wikiData | Q77309782 |