Structure Database (LMSD)

Systematic Name
3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone
Synonyms
LM ID
LMPK12113225
Formula
C25H28O8
Exact Mass
Calculate m/z
456.17842
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)
DTMYCAXVEVOVSI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O8/c1-14(2)10-11-32-19-13-18(29-5)20-21(26)25(31-7)22(33-24(20)23(19)30-6)15-8-9-16(27-3)17(12-15)28-4/h8-10,12-13H,11H2,1-7H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=C(OC)C2OC(C3C=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

CHEBI ID
186109
METABOLOMICS ID
FL5FFCNI0004
PubChem CID
13942546

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 417.84
Topological Polar Surface Area 85.59
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
logP 6.03
Molar Refractivity 126.20

Admin

Created at
-
Updated at
-