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

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=C(O)C=C(C=C1)[C@H]2CC3=CC(O)=CC(O)=C3C(=O)O2

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 Sat Dec 16 18:12:02 GMT 2023
Edited
by admin
on Sat Dec 16 18:12:02 GMT 2023
Record UNII
77N5TN6EJP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
(3R)-3,4-DIHYDRO-6,8-DIHYDROXY-3-(3-HYDROXY-4-METHOXYPHENYL)-1H-2-BENZOPYRAN-1-ONE
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 Sat Dec 16 18:12:02 GMT 2023 , Edited by admin on Sat Dec 16 18:12:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID10745450
Created by admin on Sat Dec 16 18:12:02 GMT 2023 , Edited by admin on Sat Dec 16 18:12:02 GMT 2023
PRIMARY
CAS
147517-08-6
Created by admin on Sat Dec 16 18:12:02 GMT 2023 , Edited by admin on Sat Dec 16 18:12:02 GMT 2023
PRIMARY
FDA UNII
77N5TN6EJP
Created by admin on Sat Dec 16 18:12:02 GMT 2023 , Edited by admin on Sat Dec 16 18:12:02 GMT 2023
PRIMARY
WIKIPEDIA
Thunberginol E
Created by admin on Sat Dec 16 18:12:02 GMT 2023 , Edited by admin on Sat Dec 16 18:12:02 GMT 2023
PRIMARY