Structure Database (LMSD)

OH OH OH OH OH HO O
Common Name
(+)-Gallocatechin
Systematic Name
Synonyms
LM ID
LMPK12020002
Formula
C15H14O7
Exact Mass
Calculate m/z
306.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

String Representations

InChiKey (Click to copy)
XMOCLSLCDHWDHP-SWLSCSKDSA-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+/m0/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

References

Other Databases

Wikipedia
Gallocatechin
KEGG ID
C12127
HMDB ID
HMDB0038365
CHEBI ID
31018
PubChem CID
65084
Cayman ID
25125

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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