Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

WYF

Summary
Name:(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one
Formula:C21 H18 N2 O5
Formal charge:0
Formula weight:378.378 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one
OpenEye OEToolkits1.7.0(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1c5c(O)cc(O)cc5O/C1=C\c3c2cc(OC)ccc2n4c3CNCC4
SMILES_CANONICALCACTVS3.370COc1ccc2n3CCNCc3c(\C=C4/Oc5cc(O)cc(O)c5C4=O)c2c1
SMILESCACTVS3.370COc1ccc2n3CCNCc3c(C=C4Oc5cc(O)cc(O)c5C4=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1ccc2c(c1)c(c3n2CCNC3)/C=C\4/C(=O)c5c(cc(cc5O4)O)O
SMILESOpenEye OEToolkits1.7.0COc1ccc2c(c1)c(c3n2CCNC3)C=C4C(=O)c5c(cc(cc5O4)O)O
InChIInChI1.03InChI=1S/C21H18N2O5/c1-27-12-2-3-15-13(8-12)14(16-10-22-4-5-23(15)16)9-19-21(26)20-17(25)6-11(24)7-18(20)28-19/h2-3,6-9,22,24-25H,4-5,10H2,1H3/b19-9-
InChIKeyInChI1.03HUEDLQSVQCSQPS-OCKHKDLRSA-N

221716

PDB entries from 2024-06-26

PDB statisticsPDBj update infoContact PDBjnumon