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BioLiP

PDB CCD ID: FX3
Number of entries in BioLiP: 1
Chemical formula: C15 H18 O8
InChI: InChI=1S/C15H18O8/c1-21-10-6-8(2-4-9(10)16)3-5-12(17)22-7-11-13(18)14(19)15(20)23-11/h2-6,11,13-16,18-20H,7H2,1H3/b5-3+/t11-,13-,14-,15+/m0/s1
InChIKey: BDEXCUQHBTVULQ-NNDRJBMQSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OCC1OC(O)C(O)C1O)\C=C\c2ccc(O)c(OC)c2
OpenEye OEToolkits 1.5.0COc1cc(ccc1O)C=CC(=O)OCC2C(C(C(O2)O)O)O
CACTVS 3.341COc1cc(C=CC(=O)OC[CH]2O[CH](O)[CH](O)[CH]2O)ccc1O
CACTVS 3.341COc1cc(/C=C/C(=O)OC[C@@H]2O[C@@H](O)[C@@H](O)[C@H]2O)ccc1O
OpenEye OEToolkits 1.5.0COc1cc(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H]([C@@H](O2)O)O)O
Name:5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
ZINC: ZINC000058638356
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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