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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16O6
Molecular Weight 340.3267
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Bis(3,4-Dihydroxy-trans-cinnamoyl)methane

SMILES

OC1=C(O)C=C(C=C1)\C=C\C(=O)CC(=O)\C=C\C2=CC(O)=C(O)C=C2

InChI

InChIKey=OJFGQVZAISEIPG-IJIVKGSJSA-N
InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2/b5-1+,6-2+

HIDE SMILES / InChI

Molecular Formula C19H16O6
Molecular Weight 340.3267
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:38:59 GMT 2023
Edited
by admin
on Sat Dec 16 11:38:59 GMT 2023
Record UNII
V9WSK3JJL2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bis(3,4-Dihydroxy-trans-cinnamoyl)methane
Common Name English
LI-01008
Code English
LI01008
Code English
(1E,6E)-1,7-Bis(3,4-dihydroxyphenyl)-1,6-heptadiene-3,5-dione
Systematic Name English
1,6-Heptadiene-3,5-dione, 1,7-bis(3,4-dihydroxyphenyl)-, (E,E)-
Systematic Name English
1,6-Heptadiene-3,5-dione, 1,7-bis(3,4-dihydroxyphenyl)-, (1E,6E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5469425
Created by admin on Sat Dec 16 11:38:59 GMT 2023 , Edited by admin on Sat Dec 16 11:38:59 GMT 2023
PRIMARY
CAS
60831-46-1
Created by admin on Sat Dec 16 11:38:59 GMT 2023 , Edited by admin on Sat Dec 16 11:38:59 GMT 2023
PRIMARY
FDA UNII
V9WSK3JJL2
Created by admin on Sat Dec 16 11:38:59 GMT 2023 , Edited by admin on Sat Dec 16 11:38:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID40873735
Created by admin on Sat Dec 16 11:38:59 GMT 2023 , Edited by admin on Sat Dec 16 11:38:59 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY