General Information of the Compound
Compound ID |
CP0047227
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
Synonyms |
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
(E)-3-(3,4-dihydroxyphenyl)acrylic acid
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-
3,4-Dihydroxy-trans-cinnamate
3,4-Dihydroxybenzeneacrylic acid
3,4-Dihydroxycinnamic Acid
3,4-Dihydroxycinnamic acid
3-(3,4-Dihydroxyphenyl)-2-propenoic acid
3-(3,4-Dihydroxyphenyl)propenoic acid
3-(3,4-dihydroxyphenyl)acrylic acid
331-39-5
4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
501-16-6
Caffeic acid
Cinnamic acid, 3,4-dihydroxy-
UNII-U2S3A33KVM
caffeic acid
trans-Caffeate
trans-caffeic acid
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C9H8O4
|
||||||||||||||||||
Molecular Weight |
180.159
|
||||||||||||||||||
Canonical SMILES |
OC(=O)\C=C\c1ccc(O)c(O)c1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Show/Hide
|
||||||||||||||||||
InChIKey |
QAIPRVGONGVQAS-DUXPYHPUSA-N
|
||||||||||||||||||
CAS |
71693-97-5
501-16-6
|
||||||||||||||||||
Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
PubChem ID | |||||||||||||||||||
ChEMBL ID | |||||||||||||||||||
DrugBank ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound