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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22O4
Molecular Weight 314.3756
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUTAMARIN ALCOHOL, (+)-

SMILES

CC(C)(O)[C@@H]1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1

InChI

InChIKey=JCDLLLXYAICSQV-INIZCTEOSA-N
InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
64.0 µM [IC50]
27.64 µM [IC50]