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

Details

Stereochemistry UNKNOWN
Molecular Formula C21H22O9
Molecular Weight 418.394
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTOFUNICONE

SMILES

COC(=O)C1=CC(OC)=CC(OC)=C1C(=O)C2=COC(C[C@H](C)OC(C)=O)=CC2=O

InChI

InChIKey=VSHBHDIKPQHDHQ-NSHDSACASA-N
InChI=1S/C21H22O9/c1-11(30-12(2)22)6-14-8-17(23)16(10-29-14)20(24)19-15(21(25)28-5)7-13(26-3)9-18(19)27-4/h7-11H,6H2,1-5H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O9
Molecular Weight 418.394
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:33:00 GMT 2025
Edited
by admin
on Mon Mar 31 23:33:00 GMT 2025
Record UNII
8AQ79A74T2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACTOFUNICONE
Common Name English
FKI-0076
Preferred Name English
(+)-FKI-0076
Common Name English
BENZOIC ACID, 2-((6-(2-(ACETYLOXY)PROPYL)-4-OXO-4H-PYRAN-3-YL)CARBONYL)-3,5-DIMETHOXY-, METHYL ESTER, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
8AQ79A74T2
Created by admin on Mon Mar 31 23:33:00 GMT 2025 , Edited by admin on Mon Mar 31 23:33:00 GMT 2025
PRIMARY
CAS
358376-44-0
Created by admin on Mon Mar 31 23:33:00 GMT 2025 , Edited by admin on Mon Mar 31 23:33:00 GMT 2025
PRIMARY
PUBCHEM
72941809
Created by admin on Mon Mar 31 23:33:00 GMT 2025 , Edited by admin on Mon Mar 31 23:33:00 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY