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Details

Stereochemistry ACHIRAL
Molecular Formula C21H18O6
Molecular Weight 366.364
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYCYROL

SMILES

COC1=C2C3=C(C4=C(O3)C=C(O)C=C4)C(=O)OC2=CC(O)=C1CC=C(C)C

InChI

InChIKey=LWESBHWAOZORCQ-UHFFFAOYSA-N
InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H18O6
Molecular Weight 366.364
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 09:40:13 UTC 2023
Edited
by admin
on Sat Dec 16 09:40:13 UTC 2023
Record UNII
6C3DSA537F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCYROL
Common Name English
3,9-DIHYDROXY-1-METHOXY-2-(3-METHYL-2-BUTEN-1-YL)-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE
Systematic Name English
6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE, 3,9-DIHYDROXY-1-METHOXY-2-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
NEOGLYCYROL
Common Name English
Code System Code Type Description
CAS
23013-84-5
Created by admin on Sat Dec 16 09:40:13 UTC 2023 , Edited by admin on Sat Dec 16 09:40:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID00177569
Created by admin on Sat Dec 16 09:40:13 UTC 2023 , Edited by admin on Sat Dec 16 09:40:13 UTC 2023
PRIMARY
CHEBI
80832
Created by admin on Sat Dec 16 09:40:13 UTC 2023 , Edited by admin on Sat Dec 16 09:40:13 UTC 2023
PRIMARY
PUBCHEM
5320083
Created by admin on Sat Dec 16 09:40:13 UTC 2023 , Edited by admin on Sat Dec 16 09:40:13 UTC 2023
PRIMARY
FDA UNII
6C3DSA537F
Created by admin on Sat Dec 16 09:40:13 UTC 2023 , Edited by admin on Sat Dec 16 09:40:13 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
GLYCYROL was tested for antimicrobial activity against methicillin sensitive Staphylococcus aureus, methicillin resistant S. aureus, Micrococcus luteus, Bacillus subtilis, Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa and found to be inactive.
PARENT -> CONSTITUENT ALWAYS PRESENT
NEOGLYCYROL was tested for antithrombotic activity.
PARENT -> CONSTITUENT ALWAYS PRESENT
Anti-HCV activity was found to be 4.6 ug/mL.