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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16O3
Molecular Weight 232.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SORBICILLIN

SMILES

C\C=C\C=C\C(=O)C1=CC(C)=C(O)C(C)=C1O

InChI

InChIKey=RKKPUBAAIGFXOG-YTXTXJHMSA-N
InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4+,7-6+

HIDE SMILES / InChI

Molecular Formula C14H16O3
Molecular Weight 232.275
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:58:35 GMT 2025
Edited
by admin
on Mon Mar 31 19:58:35 GMT 2025
Record UNII
2V94TML24G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SORBICILLIN
Common Name English
(2E,4E)-1-(2,4-DIHYDROXY-3,5-DIMETHYLPHENYL)-2,4-HEXADIEN-1-ONE
Preferred Name English
2,4-HEXADIEN-1-ONE, 1-(2,4-DIHYDROXY-3,5-DIMETHYLPHENYL)-, (2E,4E)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID601347883
Created by admin on Mon Mar 31 19:58:35 GMT 2025 , Edited by admin on Mon Mar 31 19:58:35 GMT 2025
PRIMARY
CAS
79950-85-9
Created by admin on Mon Mar 31 19:58:35 GMT 2025 , Edited by admin on Mon Mar 31 19:58:35 GMT 2025
PRIMARY
FDA UNII
2V94TML24G
Created by admin on Mon Mar 31 19:58:35 GMT 2025 , Edited by admin on Mon Mar 31 19:58:35 GMT 2025
PRIMARY
PUBCHEM
5376187
Created by admin on Mon Mar 31 19:58:35 GMT 2025 , Edited by admin on Mon Mar 31 19:58:35 GMT 2025
PRIMARY