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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O2
Molecular Weight 320.4248
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,8-CHRYSENEDIOL, 5,11-DIETHYL-5,6,11,12-TETRAHYDRO-, (5R,11R)-

SMILES

CC[C@@H]1CC2=C(C=CC(O)=C2)C3=C1C4=C(C[C@H]3CC)C=C(O)C=C4

InChI

InChIKey=MASYAWHPJCQLSW-ZIAGYGMSSA-N
InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.31 µM [IC50]
8.6 µM [EC50]
9.0 nM [Ki]
3.6 nM [Ki]