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11-O-Methylgeldanamycin
FEATURES
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NAMES
  • 11-O-Methylgeldanamycin
SMILES
COC1=C2C[C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O
InChI
InChI=1S/C30H42N2O9/c1-16-12-20-25(34)21(15-22(33)28(20)40-8)32-29(35)17(2)10-9-11-23(37-5)27(41-30(31)36)19(4)14-18(3)26(39-7)24(13-16)38-6/h9-11,14-16,18,23-24,26-27H,12-13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,17-10+,19-14+/t16-,18+,23+,24+,26-,27+/m1/s1
MOLECULAR FORMULA
C30H42N2O9
CROSS REFERENCES
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11-O-Methylgeldanamycin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 574.29
AlogP 3.06
HBond donors 3
HBond acceptors 11
Atoms 83
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 11-O-Methylgeldanamycin.