Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

0VJ

Summary
Name:2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
Formula:C18 H14 O4
Formal charge:0
Formula weight:294.301 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione
OpenEye OEToolkits1.7.62-[(4-methoxyphenyl)methyl]-3-oxidanyl-naphthalene-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1c(cccc1)C(=O)C(O)=C2Cc3ccc(OC)cc3
InChIInChI1.03InChI=1S/C18H14O4/c1-22-12-8-6-11(7-9-12)10-15-16(19)13-4-2-3-5-14(13)17(20)18(15)21/h2-9,21H,10H2,1H3
InChIKeyInChI1.03DKOJAMITDVVFPR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1ccc(CC2=C(O)C(=O)c3ccccc3C2=O)cc1
SMILESCACTVS3.370COc1ccc(CC2=C(O)C(=O)c3ccccc3C2=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O
SMILESOpenEye OEToolkits1.7.6COc1ccc(cc1)CC2=C(C(=O)c3ccccc3C2=O)O

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon