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FEZ

Summary
Name:(1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
Synonyms:FEROLINE
Formula:C22 H30 O4
Formal charge:0
Formula weight:358.471 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
OpenEye OEToolkits2.0.4[(1~{S},2~{S},3~{Z},5~{S},8~{Z})-5,9-dimethyl-5-oxidanyl-2-propan-2-yl-cyclodeca-3,8-dien-1-yl] 4-oxidanylbenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC(=O)c2ccc(O)cc2
InChIInChI1.03InChI=1S/C22H30O4/c1-15(2)19-11-13-22(4,25)12-5-6-16(3)14-20(19)26-21(24)17-7-9-18(23)10-8-17/h6-11,13,15,19-20,23,25H,5,12,14H2,1-4H3/b13-11-,16-6-/t19-,20+,22+/m1/s1
InChIKeyInChI1.03AVRRAMZPNSQDIW-TUNDKXTFSA-N
SMILES_CANONICALCACTVS3.385CC(C)[C@H]1\C=C/[C@@](C)(O)CC\C=C(C)/C[C@@H]1OC(=O)c2ccc(O)cc2
SMILESCACTVS3.385CC(C)[CH]1C=C[C](C)(O)CCC=C(C)C[CH]1OC(=O)c2ccc(O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.4C/C/1=C/CC[C@](/C=C\[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O
SMILESOpenEye OEToolkits2.0.4CC1=CCCC(C=CC(C(C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O

217705

PDB entries from 2024-03-27

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