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BioLiP Library

PDB CCD ID: BC
Number of entries in BioLiP: 0
Chemical formula: C22 H18 O3
InChI: InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1
InChIKey: GSKJTEFMUWIEJJ-BVSLBCMMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O
CACTVS 3.341O[CH]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c3ccccc3c4c2ccc5c4CC(C(C5O)O)O
ACDLabs 10.04OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O
Name:BENZO[G]CHRYSENE
ZINC: ZINC000058639136
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)(download the PDF file).
  • 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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