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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23NO5
Molecular Weight 369.411
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOMOCHELIDONINE

SMILES

[H][C@]12[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@]1([H])N(C)CC5=C2C=CC(OC)=C5OC

InChI

InChIKey=MADYLZJCRKUBIK-RYGJVYDSSA-N
InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
350.0 µM [IC50]
62.3 µM [IC50]