Smtp-6
| Internal ID | a5bd2321-2e06-4a21-ba8d-0386ae954c19 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives |
| IUPAC Name | 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-(1H-indol-3-yl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H40N2O6/c1-20(2)9-7-10-21(3)11-8-14-34(4)30(38)17-25-29(37)16-24-26(31(25)42-34)19-36(32(24)39)28(33(40)41)15-22-18-35-27-13-6-5-12-23(22)27/h5-6,9,11-13,16,18,28,30,35,37-38H,7-8,10,14-15,17,19H2,1-4H3,(H,40,41)/b21-11+ |
| InChI Key | CJZYCBIYGYFBTP-SRZZPIQSSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C34H40N2O6 |
| Molecular Weight | 572.70 g/mol |
| Exact Mass | 572.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 6.10 |
| 2-[2-[(3E)-4,8-Dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-(1H-indol-3-yl)propanoic acid |
| 2-(2-((3E)-4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano(2,3-e)isoindol-8-yl)-3-(1H-indol-3-yl)propanoic acid |
| RefChem:183433 |
| SMTP 6 |
| 221161-92-8 |
| SCHEMBL29406383 |
| CHEBI:198519 |
| 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 | 99.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.33% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.69% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.87% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.84% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.70% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.20% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.75% | 86.33% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.93% | 95.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.17% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.70% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.38% | 92.08% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.88% | 92.12% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.26% | 94.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.86% | 88.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.52% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.34% | 94.73% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.61% | 95.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.18% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.70% | 90.17% |
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.
| There are no matching plants. |
| PubChem | 10698326 |
| LOTUS | LTS0083331 |
| wikiData | Q75062044 |