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1-Deacetylkhivorin
FEATURES
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NAMES
  • 1-Deacetylkhivorin
SMILES
CC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@@H](C[C@@H](OC(C)=O)[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]423)C1(C)C
InChI
InChI=1S/C30H40O9/c1-15(31)36-21-13-20(33)28(6)18-8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,39-24)29(18,7)22(37-16(2)32)12-19(28)26(21,3)4/h9,11,14,18-24,33H,8,10,12-13H2,1-7H3/t18-,19+,20+,21-,22-,23-,24-,27+,28-,29+,30-/m1/s1
MOLECULAR FORMULA
C30H40O9
CROSS REFERENCES
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1-Deacetylkhivorin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 544.27
AlogP 4.12
HBond donors 1
HBond acceptors 9
Atoms 79
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1-Deacetylkhivorin.