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7-Methoxyisomorellinol
FEATURES
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NAMES
  • 7-Methoxyisomorellinol
SMILES
CO[C@]12C=C3C(=O)c4c(O)c5c(c(CC=C(C)C)c4O[C@@]34[C@@H](C1)C(C)(C)O[C@@]4(C/C=C(/C)CO)C2=O)OC(C)(C)C=C5
InChI
InChI=1S/C34H40O8/c1-18(2)9-10-21-27-20(12-13-30(4,5)40-27)25(36)24-26(37)22-15-32(39-8)16-23-31(6,7)42-33(29(32)38,14-11-19(3)17-35)34(22,23)41-28(21)24/h9,11-13,15,23,35-36H,10,14,16-17H2,1-8H3/b19-11-/t23-,32+,33-,34+/m0/s1
MOLECULAR FORMULA
C34H40O8
CROSS REFERENCES
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7-Methoxyisomorellinol

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 576.27
AlogP 5.19
HBond donors 2
HBond acceptors 8
Atoms 82
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 7-Methoxyisomorellinol.