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

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(3,4-DIHYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

SMILES

CC(C)(CO)C(O)\C=C\C1=CC=C(O)C(O)=C1

InChI

InChIKey=UVPAQWUWBVMAPV-GQCTYLIASA-N
InChI=1S/C13H18O4/c1-13(2,8-14)12(17)6-4-9-3-5-10(15)11(16)7-9/h3-7,12,14-17H,8H2,1-2H3/b6-4+

HIDE SMILES / InChI

Molecular Formula C13H18O4
Molecular Weight 238.2796
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:34:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:38 GMT 2025
Record UNII
Y9XZM69ZDG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(3,4-DIHYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL
Systematic Name English
ACMC-20M9S7
Preferred Name English
1,2-BENZENEDIOL, 4-(3,5-DIHYDROXY-4,4-DIMETHYL-1-PENTENYL)-
Systematic Name English
1,2-BENZENEDIOL, 4-(3,5-DIHYDROXY-4,4-DIMETHYL-1-PENTEN-1-YL)-
Systematic Name English
(E)-4-(3,5-DIHYDROXY-4,4-DIMETHYLPENT-1-EN-1-YL)BENZENE-1,2-DIOL
Systematic Name English
STIRIPENTOL METABOLITE VI
Common Name English
CTK0D7292
Code English
Code System Code Type Description
EPA CompTox
DTXSID30762306
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
PUBCHEM
71334150
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
FDA UNII
Y9XZM69ZDG
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
CAS
106174-93-0
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE