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Details

Stereochemistry RACEMIC
Molecular Formula C15H12O5
Molecular Weight 272.2528
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUNBERGINOL C

SMILES

OC1=CC=C(C=C1)C2CC3=CC(O)=CC(O)=C3C(=O)O2

InChI

InChIKey=WMAITHDYVBQITD-UHFFFAOYSA-N
InChI=1S/C15H12O5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(18)14(9)15(19)20-13/h1-5,7,13,16-18H,6H2

HIDE SMILES / InChI

Molecular Formula C15H12O5
Molecular Weight 272.2528
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:17 GMT 2023
Record UNII
X3P5X86ZBF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THUNBERGINOL C
Common Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-(4-HYDROXYPHENYL)-, (±)-
Systematic Name English
6,8-DIHYDROXY-3-(4-HYDROXYPHENYL)-3,4-DIHYDROISOCHROMEN-1-ONE
Systematic Name English
3,4-DIHYDRO-6,8-DIHYDROXY-3-(4-HYDROXYPHENYL)-1H-2-BENZOPYRAN-1-ONE
Systematic Name English
1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10333412
Created by admin on Sat Dec 16 16:57:17 GMT 2023 , Edited by admin on Sat Dec 16 16:57:17 GMT 2023
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WIKIPEDIA
Thunberginol C
Created by admin on Sat Dec 16 16:57:17 GMT 2023 , Edited by admin on Sat Dec 16 16:57:17 GMT 2023
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EPA CompTox
DTXSID00438304
Created by admin on Sat Dec 16 16:57:17 GMT 2023 , Edited by admin on Sat Dec 16 16:57:17 GMT 2023
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CAS
147517-06-4
Created by admin on Sat Dec 16 16:57:17 GMT 2023 , Edited by admin on Sat Dec 16 16:57:17 GMT 2023
PRIMARY
FDA UNII
X3P5X86ZBF
Created by admin on Sat Dec 16 16:57:17 GMT 2023 , Edited by admin on Sat Dec 16 16:57:17 GMT 2023
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