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BioLiP

PDB CCD ID: A1LWJ
Number of entries in BioLiP: 1
Chemical formula: C19 H14 O2
InChI: InChI=1S/C19H14O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-11,18H,12H2/t18-/m1/s1
InChIKey: XTWSWGKXWMYSLP-GOSISDBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4
CACTVS 3.385O=C1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2CC(=O)c3c4ccccc4ccc3O2
Name:(3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-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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