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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18O8
Molecular Weight 314.2879
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PUNGENIN

SMILES

CC(=O)C1=CC=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1

InChI

InChIKey=AOXMCWFZPZRDPE-RKQHYHRCSA-N
InChI=1S/C14H18O8/c1-6(16)7-2-3-8(17)9(4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H18O8
Molecular Weight 314.2879
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:34:16 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:16 GMT 2023
Record UNII
SC67H2S7NM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PUNGENIN
Common Name English
1-(4-Hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-one
Systematic Name English
1-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXYPHENYL)ETHANONE
Systematic Name English
ETHANONE, 1-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Pungenin
Created by admin on Sat Dec 16 17:34:16 GMT 2023 , Edited by admin on Sat Dec 16 17:34:16 GMT 2023
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FDA UNII
SC67H2S7NM
Created by admin on Sat Dec 16 17:34:16 GMT 2023 , Edited by admin on Sat Dec 16 17:34:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID801216422
Created by admin on Sat Dec 16 17:34:16 GMT 2023 , Edited by admin on Sat Dec 16 17:34:16 GMT 2023
PRIMARY
CAS
55483-00-6
Created by admin on Sat Dec 16 17:34:16 GMT 2023 , Edited by admin on Sat Dec 16 17:34:16 GMT 2023
PRIMARY
PUBCHEM
12314759
Created by admin on Sat Dec 16 17:34:16 GMT 2023 , Edited by admin on Sat Dec 16 17:34:16 GMT 2023
PRIMARY