Structure Database (LMSD)

Common Name
Myricitrin
Systematic Name
Synonyms
  • Myricetrin
LM ID
LMPK12112436
Status
Active
Exact Mass
Calculate m/z
464.09548
Formula
C21H20O12
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
DCYOADKBABEMIQ-OWMUPTOHSA-N
InChi (Click to copy)
InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Croton menyharthii (#425924)
Magnoliopsida (#3398)
Antimicrobial and selected in vitro enzyme inhibitory effects of leaf extracts, flavonols and indole alkaloids isolated from Croton menyharthii.,
Molecules, 2013
Pubmed ID: 24126380

Other Databases

Wikipedia
Myricitrin
KEGG ID
C10108
CHEBI ID
70082
METABOLOMICS ID
FL5FAGGS0004
PubChem CID
5281673

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 374.08
Topological Polar Surface Area 212.58
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.53
Molar Refractivity 111.90

Admin

Created at
-
Updated at
8th Jun 2021