Structure Database (LMSD)

O OH OH OH OH OH HO O
Common Name
Myricetin
Systematic Name
Synonyms
LM ID
LMPK12110001
Formula
C15H10O8
Exact Mass
Calculate m/z
318.03757
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
IKMDFBPHZNJCSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC(O)=C(O)C(O)=C3)=C(O)C(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Myricetin
KEGG ID
C10107
HMDB ID
HMDB0002755
CHEBI ID
18152
PubChem CID
5281672
Cayman ID
10012600
PDB ID
MYC
GuidePharm ID
13074

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 247.48
Topological Polar Surface Area 151.59
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 2.59
Molar Refractivity 78.02

Admin

Created at
-
Updated at
-