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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O9
Molecular Weight 420.4099
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISORHAPONTIN

SMILES

COC1=CC(\C=C\C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)=CC=C1O

InChI

InChIKey=KLPUXMNQDCUPNO-DXKBKAGUSA-N
InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24O9
Molecular Weight 420.4099
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
70.0 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
BNH6WEN5L8
Record Status Validated (UNII)
Record Version