Structure Database (LMSD)
Common Name
Epigallocatechin
Systematic Name
Synonyms
3D model of Epigallocatechin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XMOCLSLCDHWDHP-IUODEOHRSA-N
InChi (Click to copy)
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3=CC(O)=C(O)C(O)=C3)[C@H](O)CC2=C(O)C=1
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
254.87
Topological Polar Surface Area
132.68
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
7
logP
1.54
Molar Refractivity
74.80
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Created at
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Updated at
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