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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14O6
Molecular Weight 302.2788
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUNBERGINOL E

SMILES

COC1=CC=C(C=C1O)[C@H]2CC3=C(C(=O)O2)C(O)=CC(O)=C3

InChI

InChIKey=MZKMQBPFGDJUFV-CQSZACIVSA-N
InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14O6
Molecular Weight 302.2788
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 Wed Apr 02 10:26:04 GMT 2025
Edited
by admin
on Wed Apr 02 10:26:04 GMT 2025
Record UNII
77N5TN6EJP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R)-3,4-DIHYDRO-6,8-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-1H-2-BENZOPYRAN-1-ONE
Preferred Name English
THUNBERGINOL E
Common Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-, (R)-
Systematic Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-, (3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71308285
Created by admin on Wed Apr 02 10:26:04 GMT 2025 , Edited by admin on Wed Apr 02 10:26:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID10745450
Created by admin on Wed Apr 02 10:26:04 GMT 2025 , Edited by admin on Wed Apr 02 10:26:04 GMT 2025
PRIMARY
CAS
147517-08-6
Created by admin on Wed Apr 02 10:26:04 GMT 2025 , Edited by admin on Wed Apr 02 10:26:04 GMT 2025
PRIMARY
FDA UNII
77N5TN6EJP
Created by admin on Wed Apr 02 10:26:04 GMT 2025 , Edited by admin on Wed Apr 02 10:26:04 GMT 2025
PRIMARY
WIKIPEDIA
Thunberginol E
Created by admin on Wed Apr 02 10:26:04 GMT 2025 , Edited by admin on Wed Apr 02 10:26:04 GMT 2025
PRIMARY