2-[2-[19-Amino-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid
| Internal ID | 6dd524b4-0ec4-46cd-ba41-8c4313dea007 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H57NO16/c1-4-5-8-19(3)31(50-29(43)16-21(33(47)48)14-27(40)41)25(49-28(42)15-20(32(45)46)13-26(38)39)12-18(2)11-22(35)9-6-7-10-23(36)30(44)24(37)17-34/h18-25,30-31,35-37,44H,4-17,34H2,1-3H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48) |
| InChI Key | FYZZDZVZFRCZJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H57NO16 |
| Molecular Weight | 723.80 g/mol |
| Exact Mass | 723.36773473 g/mol |
| Topological Polar Surface Area (TPSA) | 309.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of 2-[2-[19-Amino-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0bd81540-8642-11ee-be99-e73bc7c72640.jpg "2D Structure of 2-[2-[19-Amino-6-(3,4-dicarboxybutanoyloxy)-11,16,17,18-tetrahydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.14% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.11% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.01% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.23% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.29% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.67% | 97.21% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.49% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.15% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.99% | 93.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.80% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.98% | 94.08% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.69% | 99.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.76% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.56% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.54% | 96.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.21% | 97.06% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.69% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.64% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.33% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.04% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.93% | 98.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.78% | 95.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.14% | 92.86% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.43% | 90.20% |
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 | 10700072 |
| LOTUS | LTS0173071 |
| wikiData | Q104166918 |