d-Erythro-hex-2-enonic acid
| Internal ID | 433a312c-fe85-4c17-aa3f-15fa02a7c890 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(10R,15R)-3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C2C(C(=C(C(=O)O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]2[C@H](C(=C(C(=O)O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| InChI | InChI=1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2/t18-,27-/m1/s1 |
| InChI Key | UEHSSTYZXFBDNL-DNOBIOAJSA-N |
| Popularity | 53 references in papers |
| Molecular Formula | C34H22O22 |
| Molecular Weight | 782.50 g/mol |
| Exact Mass | 782.06027233 g/mol |
| Topological Polar Surface Area (TPSA) | 374.00 Ų |
| XlogP | 1.60 |
| d-Erythro-hex-2-enonic acid |
| 0T0143S5US |
| 180465-44-5 |
| UNII-0T0143S5US |
| [(10R,15R)-3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate |
| D-Erythro-hex-2-enonic acid, delta-lactone, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2,3-bis(3,4,5-trihydroxybenzoate) |
| Q27237218 |
| D-ERYTHRO-HEX-2-ENONIC ACID, .DELTA.-LACTONE, CYCLIC 4,6-((1S)-4,4',5,5',6,6'-HEXAHYDROXY(1,1'-BIPHENYL)-2,2'-DICARBOXYLATE) 2,3-BIS(3,4,5-TRIHYDROXYBENZOATE) |
| 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 | 98.65% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.14% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.51% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.55% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.99% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.31% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.23% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.26% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 84.18% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.19% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
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.
| Phyllanthus emblica |
| PubChem | 119058016 |
| LOTUS | LTS0052996 |
| wikiData | Q27237218 |