PID

PERIDININ

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count96
Chiral Atom Count6
Bond Count99
Aromatic Bond Count0
2D diagram of PID
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Chemical Component Summary

NamePERIDININ
Systematic Name (OpenEye OEToolkits)[(1S,3R)-3-hydroxy-4-[(5E,7E,9E,11Z)-11-[4-[(E)-2-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]ethenyl]-5-oxo-furan-2-ylidene]-3,10-dimethyl-undeca-1,3,5,7,9-pentaenylidene]-3,5,5-trimethyl-cyclohexyl] ethanoate
FormulaC39 H50 O7
Molecular Weight630.81
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(OC4CC(\C(=C=C\C(=C\C=C\C=C\C=C(\C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)CC2(C)C)C)C)C(O)(C)C4)(C)C)C
SMILESCACTVS3.341CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C)[C](C)(O)C1
SMILESOpenEye OEToolkits1.5.0CC(=CC=CC=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(C)C
Canonical SMILESCACTVS3.341 CC(=O)O[C@H]1CC(C)(C)[C](=[C@]=[CH]/C(C)=C/C=C/C=C/C=C(C)/C=C/2OC(=O)C(=C/2)/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)[C@](C)(O)C1
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C
InChIInChI1.03 InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17-,30-,32-,37+,38+,39-/m0/s1
InChIKeyInChI1.03 UYRDHEJRPVSJFM-FROCQLDGSA-N

Drug Info: DrugBank

DrugBank IDDB03001 
NamePeridinin
Groups experimental
SynonymsPeridinin
Categories
  • Alkenes
  • Biological Factors
  • Cyclohexanes
  • Cyclohexenes
  • Cycloparaffins
CAS number33281-81-1