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BioLiP

PDB CCD ID: BCU
Number of entries in BioLiP: 2
Chemical formula: C10 H12 O2
InChI: InChI=1S/C10H12O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-4,8,11H,5-7H2/t8-/m1/s1
InChIKey: UPDSWAQIQZFOLF-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C[C@@H](CO2)CO
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(CO2)CO
CACTVS 3.370OC[C@@H]1COc2ccccc2C1
CACTVS 3.370OC[CH]1COc2ccccc2C1
ACDLabs 12.01OCC1Cc2c(OC1)cccc2
Name:(3R)-3,4-dihydro-2H-chromen-3-ylmethanol;
(3R)-3,4-dihydro-2H-1-benzopyran-3-ylmethanol
ZINC: ZINC000004271751
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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