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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O7
Molecular Weight 416.4642
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEDIORESINOL DIMETHYL ETHER

SMILES

[H][C@]12CO[C@H](C3=CC(OC)=C(OC)C(OC)=C3)[C@@]1([H])CO[C@@H]2C4=CC=C(OC)C(OC)=C4

InChI

InChIKey=MFIHSKBTNZNJIK-RZTYQLBFSA-N
InChI=1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28O7
Molecular Weight 416.4642
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:32 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:32 GMT 2023
Record UNII
95DA2NWV8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MEDIORESINOL DIMETHYL ETHER
Common Name English
(1S,3AR,4S,6AR)-1-(3,4-DIMETHOXYPHENYL)-4-(3,4,5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3,4-C)FURAN
Systematic Name English
(1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.ALPHA.,4,6,6A.ALPHA.-TETRAHYDRO-4.ALPHA.-(3,4,5-TRIMETHOXYPHENYL)-, (+)-
Systematic Name English
(+)-MAGNOLIN
Common Name English
1H,3H-FURO(3,4-C)FURAN, 1-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-4-(3,4,5-TRIMETHOXYPHENYL)-, (1S,3AR,4S,6AR)-
Systematic Name English
Code System Code Type Description
CAS
31008-18-1
Created by admin on Sat Dec 16 09:46:32 GMT 2023 , Edited by admin on Sat Dec 16 09:46:32 GMT 2023
PRIMARY
FDA UNII
95DA2NWV8P
Created by admin on Sat Dec 16 09:46:32 GMT 2023 , Edited by admin on Sat Dec 16 09:46:32 GMT 2023
PRIMARY
PUBCHEM
169234
Created by admin on Sat Dec 16 09:46:32 GMT 2023 , Edited by admin on Sat Dec 16 09:46:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID10953134
Created by admin on Sat Dec 16 09:46:32 GMT 2023 , Edited by admin on Sat Dec 16 09:46:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
0.42 uM IC50 for PAF binding in rabbit blood