PDB CCD ID: | DQH |
Number of entries in BioLiP: | 92 |
Chemical formula: | C15 H12 O7 |
InChI: | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1 |
InChIKey: | CXQWRCVTCMQVQX-LSDHHAIUSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O | CACTVS 3.341 | O[CH]1[CH](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 | ACDLabs 10.04 | O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O | CACTVS 3.341 | O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O |
|
Name: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE; (2R,3R)-TRANS-DIHYDROQUERCETIN |
ChEMBL: | CHEMBL66 |
DrugBank: | DB02224 |
ZINC: | ZINC000100018343 |