Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : 0XV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H16O3/c1-10-8-13(9-11(2)17(10)19)18(20)16-12(3)21-15-7-5-4-6-14(15)16/h4-9,19H,1-3H3
2 InChIKey InChI 1.03 CIXADHNQIHMLIL-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(c1c2ccccc2oc1C)c3cc(c(O)c(c3)C)C
4 SMILES CACTVS 3.370 Cc1oc2ccccc2c1C(=O)c3cc(C)c(O)c(C)c3
5 SMILES OpenEye OEToolkits 1.7.6 Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C
6 Canonical SMILES CACTVS 3.370 Cc1oc2ccccc2c1C(=O)c3cc(C)c(O)c(C)c3
7 Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(cc(c1O)C)C(=O)c2c(oc3c2cccc3)C