Orthosiphol W
FEATURES
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NAMES
  • 3-O-Deacetylorthosiphol U
  • ORTHOSIPHOL W
SMILES
C=C[C@@]1(C)C[C@@H](O)[C@@H]2[C@]3(C)[C@@H](C[C@@H](OC(C)=O)[C@@]2(O)C1=O)C(C)(C)[C@H](O)[C@H](OC(C)=O)[C@@H]3OC(=O)c1ccccc1
InChI
InChI=1S/C31H40O10/c1-8-29(6)15-19(34)23-30(7)20(14-21(39-16(2)32)31(23,38)27(29)37)28(4,5)24(35)22(40-17(3)33)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,19-25,34-35,38H,1,14-15H2,2-7H3/t19-,20+,21-,22+,23-,24-,25+,29+,30+,31+/m1/s1
MOLECULAR FORMULA
C31H40O10
CROSS REFERENCES
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Orthosiphol W
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight572.26
AlogP2.38
HBond donors3
HBond acceptors10
Atoms81
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Orthosiphol W.