SEQ2FUN

BioLiP

PDB CCD ID: A1CLF
Number of entries in BioLiP: 1
Chemical formula: C18 H19 N O2
InChI: InChI=1S/C18H19NO2/c1-19-10-8-18(9-11-19)12-16(20)15-7-6-13-4-2-3-5-14(13)17(15)21-18/h2-7H,8-12H2,1H3
InChIKey: QPIFOKSJCZZZEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C1CC2(CCN(C)CC2)Oc2c1ccc1ccccc21
CACTVS 3.385
OpenEye OEToolkits 3.1.0.0		CN1CCC2(CC1)CC(=O)c3ccc4ccccc4c3O2
Name:1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).