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

Details

Stereochemistry RACEMIC
Molecular Formula C15H14O7
Molecular Weight 306.2675
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Melacacidin, (±)-

SMILES

O[C@@H]1[C@H](O)C2=CC=C(O)C(O)=C2O[C@@H]1C3=CC=C(O)C(O)=C3

InChI

InChIKey=JEUXGAUBSWADEA-MRVWCRGKSA-N
InChI=1S/C15H14O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,11,13-14,16-21H/t11-,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14O7
Molecular Weight 306.2675
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:39:09 GMT 2025
Edited
by admin
on Wed Apr 02 14:39:09 GMT 2025
Record UNII
FSM56FK9HT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1-Benzopyran-3,4,7,8-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R,4R)-rel-
Preferred Name English
Melacacidin, (±)-
Common Name English
rel-(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,7,8-tetrol
Systematic Name English
Code System Code Type Description
FDA UNII
FSM56FK9HT
Created by admin on Wed Apr 02 14:39:09 GMT 2025 , Edited by admin on Wed Apr 02 14:39:09 GMT 2025
PRIMARY
CAS
1246205-21-9
Created by admin on Wed Apr 02 14:39:09 GMT 2025 , Edited by admin on Wed Apr 02 14:39:09 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE