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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H16O5
Molecular Weight 300.3059
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXY-4-(4'-HYDROXY-3'-METHOXYPHENYL)-7-METHYLCHROMAN-2-ONE, (R)-

SMILES

COC1=C(O)C=CC(=C1)[C@H]2CC(=O)OC3=CC(C)=CC(O)=C23

InChI

InChIKey=MWXZMODKQTZDPU-LLVKDONJSA-N
InChI=1S/C17H16O5/c1-9-5-13(19)17-11(8-16(20)22-15(17)6-9)10-3-4-12(18)14(7-10)21-2/h3-7,11,18-19H,8H2,1-2H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H16O5
Molecular Weight 300.3059
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 05:42:40 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:40 GMT 2023
Record UNII
99FU095CJ0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HYDROXY-4-(4'-HYDROXY-3'-METHOXYPHENYL)-7-METHYLCHROMAN-2-ONE, (R)-
Systematic Name English
(4R)-4-(4-HYDROXY-3-METHOXYPHENYL)-5,7-DIMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
FEMA NO. 4834
Code English
(R)-5-HYDROXY-4-(4'-HYDROXY-3'-METHOXYPHENYL)-7-METHYLCHROMAN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
1793064-68-2
Created by admin on Sat Dec 16 05:42:40 GMT 2023 , Edited by admin on Sat Dec 16 05:42:40 GMT 2023
PRIMARY
FDA UNII
99FU095CJ0
Created by admin on Sat Dec 16 05:42:40 GMT 2023 , Edited by admin on Sat Dec 16 05:42:40 GMT 2023
PRIMARY
PUBCHEM
121484615
Created by admin on Sat Dec 16 05:42:40 GMT 2023 , Edited by admin on Sat Dec 16 05:42:40 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER