PDB CCD ID: | XEG |
Number of entries in BioLiP: | 26 |
Chemical formula: | C22 H18 O10 |
InChI: | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1 |
InChIKey: | LSHVYAFMTMFKBA-PZJWPPBQSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | Oc1cc(O)c2C[CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](Oc2c1)c4ccc(O)c(O)c4 | OpenEye OEToolkits 1.7.0 | c1cc(c(cc1C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O | CACTVS 3.370 | Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4 | OpenEye OEToolkits 1.7.0 | c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O | ACDLabs 12.01 | O=C(OC2Cc3c(OC2c1ccc(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4 |
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Name: | (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate |
ChEMBL: | CHEMBL483083 |
DrugBank: | DB16120 |
ZINC: | ZINC000004534390 |