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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H22O8
Molecular Weight 402.3946
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,5-DIMETHOXYPHENYL)-5,6,7,8-TETRAMETHOXY-4H-CHROMEN-4-ONE

SMILES

COC1=CC(OC)=CC(=C1)C2=CC(=O)C3=C(OC)C(OC)=C(OC)C(OC)=C3O2

InChI

InChIKey=ADBLJUDPXDJMMK-UHFFFAOYSA-N
InChI=1S/C21H22O8/c1-23-12-7-11(8-13(9-12)24-2)15-10-14(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-15/h7-10H,1-6H3

HIDE SMILES / InChI

Molecular Formula C21H22O8
Molecular Weight 402.3946
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 12:43:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:09 GMT 2023
Record UNII
YB1PP1M8P8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,5-DIMETHOXYPHENYL)-5,6,7,8-TETRAMETHOXY-4H-CHROMEN-4-ONE
Systematic Name English
NSC-71302
Code English
2-(3,5-DIMETHOXYPHENYL)-5,6,7,8-TETRAMETHOXY-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,5-DIMETHOXYPHENYL)-5,6,7,8-TETRAMETHOXY-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90220730
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
FDA UNII
YB1PP1M8P8
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
NSC
71302
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
CHEBI
79468
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
PUBCHEM
251114
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY
CAS
70460-29-6
Created by admin on Sat Dec 16 12:43:09 GMT 2023 , Edited by admin on Sat Dec 16 12:43:09 GMT 2023
PRIMARY