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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O4
Molecular Weight 338.397
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-O-METHYLGLABRIDIN

SMILES

COC1=CC(O)=C(C=C1)[C@@H]2COC3=C4C=CC(C)(C)OC4=CC=C3C2

InChI

InChIKey=ZZAIPFIGEGQNHP-AWEZNQCLSA-N
InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O4
Molecular Weight 338.397
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 Sat Dec 16 08:43:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:43:57 GMT 2023
Record UNII
EL27NKY4TA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-O-METHYLGLABRIDIN
Common Name English
4'-METHOXYGLABRIDIN
Common Name English
2-((3R)-3,4-DIHYDRO-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-3-YL)-5-METHOXYPHENOL
Systematic Name English
PHENOL, 2-((3R)-3,4-DIHYDRO-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-3-YL)-5-METHOXY-
Systematic Name English
Code System Code Type Description
CAS
68978-09-6
Created by admin on Sat Dec 16 08:43:57 GMT 2023 , Edited by admin on Sat Dec 16 08:43:57 GMT 2023
PRIMARY
FDA UNII
EL27NKY4TA
Created by admin on Sat Dec 16 08:43:57 GMT 2023 , Edited by admin on Sat Dec 16 08:43:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID001315155
Created by admin on Sat Dec 16 08:43:57 GMT 2023 , Edited by admin on Sat Dec 16 08:43:57 GMT 2023
PRIMARY
PUBCHEM
9927807
Created by admin on Sat Dec 16 08:43:57 GMT 2023 , Edited by admin on Sat Dec 16 08:43:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Minimum Inhibitory Concentration (MIC) for Staphylococcus aureus (ATCC 13709) = 6.25 mcg ml and Mycobacterium smegmatis (ATCC 6371) = 3.12 mcg ml. Extracts of G. glabra var. typica (Spanish licorice)-but not var. grandulifera (Russian licorice) were repeatedly active in the screen.
ENANTIOMER -> ENANTIOMER
PARENT -> CONSTITUENT ALWAYS PRESENT