SEQ2FUN

BioLiP

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:
SoftwareSMILES
CACTVS 3.341O[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1c3ccc(O)cc3
CACTVS 3.341O[CH]1Oc2cc(O)ccc2C(=O)[CH]1c3ccc(O)cc3
OpenEye OEToolkits 1.5.0c1cc(ccc1C2C(Oc3cc(ccc3C2=O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O
ACDLabs 10.04O=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
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).