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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18O5
Molecular Weight 278.3004
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-Hydroxy-12-methoxydihydrokavain

SMILES

COC1=CC(=O)O[C@@H](CCC2=CC(O)=C(OC)C=C2)C1

InChI

InChIKey=QQLVNWDQIUZGJM-NSHDSACASA-N
InChI=1S/C15H18O5/c1-18-12-8-11(20-15(17)9-12)5-3-10-4-6-14(19-2)13(16)7-10/h4,6-7,9,11,16H,3,5,8H2,1-2H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H18O5
Molecular Weight 278.3004
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 19:51:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:49 GMT 2023
Record UNII
3547LPS55V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-Hydroxy-12-methoxydihydrokavain
Common Name English
(2S)-4-methoxy-2-(2-(4-methoxy-3-oxidanyl-phenyl)ethyl)-2,3-dihydropyran-6-one
Systematic Name English
(6S)-5,6-Dihydro-6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-2H-pyran-2-one
Systematic Name English
2H-Pyran-2-one, 5,6-dihydro-6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-, (6S)-
Systematic Name English
2H-Pyran-2-one, 5,6-dihydro-6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-, (S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID701296241
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY
CAS
38146-59-7
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY
PUBCHEM
22216725
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY
FDA UNII
3547LPS55V
Created by admin on Sat Dec 16 19:51:49 GMT 2023 , Edited by admin on Sat Dec 16 19:51:49 GMT 2023
PRIMARY