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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14O7
Molecular Weight 318.2782
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LECANORIC ACID

SMILES

CC1=C(C(=O)OC2=CC(C)=C(C(O)=O)C(O)=C2)C(O)=CC(O)=C1

InChI

InChIKey=HEMSJKZDHNSSEW-UHFFFAOYSA-N
InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C16H14O7
Molecular Weight 318.2782
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:41:42 UTC 2023
Edited
by admin
on Sat Dec 16 12:41:42 UTC 2023
Record UNII
D0M65TKS0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LECANORIC ACID
Common Name English
BENZOIC ACID, 2,4-DIHYDROXY-6-METHYL-, 4-CARBOXY-3-HYDROXY-5-METHYLPHENYL ESTER
Systematic Name English
NSC-249981
Code English
.BETA.-RESORCYLIC ACID, 6-METHYL-, 4-(6-METHYL-.BETA.-RESORCYLATE)
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Lecanoric acid
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY
FDA UNII
D0M65TKS0F
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID60197384
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY
CAS
480-56-8
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY
PUBCHEM
99613
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY
CHEBI
15871
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY
NSC
249981
Created by admin on Sat Dec 16 12:41:42 UTC 2023 , Edited by admin on Sat Dec 16 12:41:42 UTC 2023
PRIMARY