Structure Database (LMSD)

Systematic Name
3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Synonyms
LM ID
LMPK12113368
Formula
C22H24O10
Exact Mass
Calculate m/z
448.13695
Status
Active
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)
VWAORUMUPBQCHI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O10/c1-25-12-9-10(8-11(23)16(12)26-2)15-19(28-4)14(24)13-17(27-3)20(29-5)22(31-7)21(30-6)18(13)32-15/h8-9,23H,1-7H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(OC)C=3)=C(OC)C(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
FL5FGGNS0012
PubChem CID
13983767

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 386.16
Topological Polar Surface Area 115.05
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
logP 4.13
Molar Refractivity 115.56

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Updated at
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