Chlorogenic acid (Predicted)

Basic Info

FADB-China IDP2449
Molecular NameChlorogenic acid
Basis for prediction 4-O-p-coumarylquinic acid
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.6250
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.8877
Similarity (based on MCS)0.6333
2D StructureNo image
SMILESO=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O
CFM-ID 3.0 (Copy SMILES to the website's input box)URL Link
Update DateJul 30, 2019 14:16

References

TitleData Sources
Source FRCD
PubChem LinkURL Link