| |
Compound Name : |
Caffeic acid |
|
| |
Compound Class : |
Lignans |
|
| |
Synonyms : |
caffeic acid;
3,4-Dihydroxycinnamic acid;
331-39-5;
trans-caffeic acid;
501-16-6;
|
|
| |
Compound Extracted from : |
Caffeic acid is extracted / reported from 18 Plant(s) of Melghat Flora as below
|
|
|
| |
Molecular Formula : |
C9H8O4 |
|
| |
Molecular Weight : |
180.16 |
|
| |
InChi Key : |
|
|
| |
IUPAC : |
|
|
| |
InChi : |
|
|
| |
Hydrogen Bond Donor count : |
3 |
|
| |
Hydrogen Bond Acceptor count : |
4 |
|
| |
Rotational Bond count : |
2 |
|
| |
TPSA : |
77.8 |
|
| |
LogP Value :
|
1.2
|
|
|
| |
Lipinski Rule of Five : |
Yes |
|
| |
Ghose Filter : |
Yes |
|
| |
Veber Filter : |
Yes |
|
| |
Muegge Filter :
|
No
|
|
|
| |
PubChem CID : |
689043 |
|
| |
Drugbank ID : |
- |
|
| |
Super Natural : |
- |
|
| |
CTD : |
C040048 |
|
| |
HIT : |
C0386 |
|
| |
NCI-60 GI50 data :
|
331-39-5
|
|
|
| |
Reference(s) : |
https://pubchem.ncbi.nlm.nih.gov/compound/689043
|
|