U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O14
Molecular Weight 484.3644
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HAMAMELITANNIN

SMILES

O[C@H](COC(=O)C1=CC(O)=C(O)C(O)=C1)[C@@H](O)[C@](O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C=O

InChI

InChIKey=STINYPFJROKCKD-WIBUTAKZSA-N
InChI=1S/C20H20O14/c21-6-20(32,7-34-19(31)9-3-12(24)16(28)13(25)4-9)17(29)14(26)5-33-18(30)8-1-10(22)15(27)11(23)2-8/h1-4,6,14,17,22-29,32H,5,7H2/t14-,17-,20-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.19 µM [IC50]