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BioLiP

PDB CCD ID: Q0O
Number of entries in BioLiP: 1
Chemical formula: C19 H14 O3
InChI: InChI=1S/C19H14O3/c20-12-9-13(22-19(21)10-12)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,13,20H,9H2/t13-/m0/s1
InChIKey: ZCHUYZRQWDZXJO-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3ccccc3C2=C[C@@H]4CC(=CC(=O)O4)O
CACTVS 3.385OC1=CC(=O)O[CH](C1)C=C2c3ccccc3c4ccccc24
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3ccccc3C2=CC4CC(=CC(=O)O4)O
CACTVS 3.385OC1=CC(=O)O[C@@H](C1)C=C2c3ccccc3c4ccccc24
ACDLabs 12.01O=C1C=C(O)CC(/C=C2\c3ccccc3c3ccccc23)O1
Name:(6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
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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