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BioLiP

PDB CCD ID: BZR
Number of entries in BioLiP: 0
Chemical formula: C18 H16 O3
InChI: InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m1/s1
InChIKey: XKOJNRIIGYARBJ-KZNAEPCWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2cc3c(ccc4c3CC(C(C4O)O)O)cc2c1
CACTVS 3.341O[CH]1Cc2c(ccc3cc4ccccc4cc23)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1Cc2c(ccc3cc4ccccc4cc23)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0c1ccc2cc3c(ccc4c3C[C@H]([C@H]([C@@H]4O)O)O)cc2c1
ACDLabs 10.04OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O
Name:1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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