CID 123940006
| Internal ID | 73a15eb9-f28f-4cdc-ab03-ad804bd9043c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (2S)-2-[(2S,3S)-2-(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-(4-hydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H39NO7/c1-19(2)7-5-8-20(3)9-6-14-32(4)28(36)17-24-27(35)16-23-25(29(24)40-32)18-33(30(23)37)26(31(38)39)15-21-10-12-22(34)13-11-21/h7,9-13,16,26,28,34-36H,5-6,8,14-15,17-18H2,1-4H3,(H,38,39)/t26-,28-,32-/m0/s1 |
| InChI Key | NSIGTFXHCFDUIY-XKVYUHEQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H39NO7 |
| Molecular Weight | 549.70 g/mol |
| Exact Mass | 549.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
| 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 | 99.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.58% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.53% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.73% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.54% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.25% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.21% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.04% | 85.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.12% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.46% | 96.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.37% | 92.08% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.31% | 85.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.22% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.11% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.21% | 94.73% |
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 | 123940006 |
| LOTUS | LTS0041818 |
| wikiData | Q105100544 |