786672 logo
12-O-Nicotinyldeacetylmetaplexigenin
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • 12-O-Nicotinyldeacetylmetaplexigenin
SMILES
CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3cccnc3)[C@]12C
InChI
InChI=1S/C27H35NO7/c1-16(29)25(32)10-11-27(34)24(25,3)21(35-22(31)17-5-4-12-28-15-17)14-20-23(2)8-7-19(30)13-18(23)6-9-26(20,27)33/h4-6,12,15,19-21,30,32-34H,7-11,13-14H2,1-3H3/t19-,20+,21+,23-,24+,25+,26-,27+/m0/s1
MOLECULAR FORMULA
C27H35NO7
CROSS REFERENCES
786672 logo

12-O-Nicotinyldeacetylmetaplexigenin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 485.24
AlogP 2.09
HBond donors 4
HBond acceptors 8
Atoms 70
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 12-O-Nicotinyldeacetylmetaplexigenin.