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Cinnafragrin A
FEATURES
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NAMES
  • Cinnafragrin A
SMILES
CC(=O)O[C@@H]1C=C([C@@H]2O[C@@H]3O[C@H](O)C4=C[C@@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@]43O2)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12
InChI
InChI=1S/C34H48O10/c1-18(36)40-22-15-20-26(38)42-28-34(20,32(8)14-10-12-30(5,6)25(22)32)44-27(43-28)21-16-23(41-19(2)37)24-29(3,4)11-9-13-31(24,7)33(21,39)17-35/h15-17,22-28,38-39H,9-14H2,1-8H3/t22-,23-,24+,25+,26+,27-,28+,31+,32+,33-,34+/m1/s1
MOLECULAR FORMULA
C34H48O10
CROSS REFERENCES
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Cinnafragrin A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 616.32
AlogP 4.11
HBond donors 2
HBond acceptors 10
Atoms 92
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Cinnafragrin A.