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BioLiP

PDB CCD ID: 9Y6
Number of entries in BioLiP: 13
Chemical formula: C9 H8 O
InChI: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey: KJPRLNWUNMBNBZ-QPJJXVBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=CC=Cc1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)/C=C/C=O
CACTVS 3.385O=C/C=C/c1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)C=CC=O
ACDLabs 12.01c1cccc(c1)C=[C@H]C=O
Name:(2E)-3-phenylprop-2-enal;
Trans-Cinnamaldehyde
ChEMBL: CHEMBL293492
DrugBank: DB14184
ZINC: ZINC000001532777
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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