| PDB CCD ID: | 2HI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H12 O5 |
| InChI: | InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H/t13-,15-/m0/s1 |
| InChIKey: | YACUBWOKTPOMNW-ZFWWWQNUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | O[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1c3ccc(O)cc3 | | CACTVS 3.341 | O[CH]1Oc2cc(O)ccc2C(=O)[CH]1c3ccc(O)cc3 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C2C(Oc3cc(ccc3C2=O)O)O)O | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O | | ACDLabs 10.04 | O=C1c3c(OC(O)C1c2ccc(O)cc2)cc(O)cc3 |
|
| Name: | (2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-4H-CHROMEN-4-ONE;
2,7,4'-TRIHYDROXYISOFLAVANONE |
| ZINC: | ZINC000013509958 |
zhanggroup.org