Structure Database (LMSD)

Common Name
8-C-Methylvellokaempferol 3,5-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112679
Formula
C23H22O6
Exact Mass
Calculate m/z
394.14164
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
NKFTUEUJDUEFQR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H22O6/c1-11(2)16-10-15-19(28-16)12(3)20-17(22(15)26-4)18(25)23(27-5)21(29-20)13-6-8-14(24)9-7-13/h6-9,16,24H,1,10H2,2-5H3
SMILES (Click to copy)
C12OC(C(=C)C)CC1=C(OC)C1C(=O)C(OC)=C(C3C=CC(O)=CC=3)OC=1C=2C

Other Databases

METABOLOMICS ID
FL5FDANF0003
PubChem CID
44259650

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 353.30
Topological Polar Surface Area 80.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 5.56
Molar Refractivity 110.98

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Updated at
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