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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20O6
Molecular Weight 380.3906
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-O-METHYLGLYCYROL

SMILES

COC1=C(CC=C(C)C)C(OC)=C2C3=C(C4=CC=C(O)C=C4O3)C(=O)OC2=C1

InChI

InChIKey=ACDSUMGMZHXCRO-UHFFFAOYSA-N
InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H20O6
Molecular Weight 380.3906
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:27 GMT 2023
Record UNII
3S8Z1S3G4I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-O-METHYLGLYCYROL
Common Name English
6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 9-HYDROXY-1,3-DIMETHOXY-2-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
3S8Z1S3G4I
Created by admin on Sat Dec 16 09:27:27 GMT 2023 , Edited by admin on Sat Dec 16 09:27:27 GMT 2023
PRIMARY
CAS
23013-85-6
Created by admin on Sat Dec 16 09:27:27 GMT 2023 , Edited by admin on Sat Dec 16 09:27:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID801315985
Created by admin on Sat Dec 16 09:27:27 GMT 2023 , Edited by admin on Sat Dec 16 09:27:27 GMT 2023
PRIMARY
PUBCHEM
5319666
Created by admin on Sat Dec 16 09:27:27 GMT 2023 , Edited by admin on Sat Dec 16 09:27:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
3-O-methylglycyrol showed a MIC of >16 ug/ml for antimicrobial activities against methicillin sensitive Staphylococcus aureus, methicillin resistant S. aureus, Micrococcus luteus, Bacillus subtilis, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa.