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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25NO8
Molecular Weight 431.4358
Optical Activity ( - )
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PSEUROTIN

SMILES

CC\C=C/[C@H](O)[C@H](O)C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)C3=CC=CC=C3

InChI

InChIKey=SLYDIPAXCVVRNY-UOWMTANKSA-N
InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25NO8
Molecular Weight 431.4358
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
81.0 µM [IC50]
Substance Class Chemical
Record UNII
H73C5W8FNE
Record Status Validated (UNII)
Record Version