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3,4-Dehydro-Strictosidine
FEATURES
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NAMES
  • 3,4-Dehydro-Strictosidine
SMILES
C=CC1C(CC2=NCCc3c2[nH]c2ccccc32)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI
InChI=1S/C27H32N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,20,22-24,26-27,29-33H,1,8-11H2,2H3/t13?,16?,20-,22-,23+,24-,26+,27+/m1/s1
MOLECULAR FORMULA
C27H32N2O9
CROSS REFERENCES
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3,4-Dehydro-Strictosidine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 528.21
AlogP 0.55
HBond donors 5
HBond acceptors 11
Atoms 70
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3,4-Dehydro-Strictosidine.