Structure Database (LMSD)

Common Name
Gardenin E
Systematic Name
3',5,5'-Trihydroxy-4',6,7,8-tetramethoxyflavone
Synonyms
LM ID
LMPK12111487
Formula
C19H18O9
Exact Mass
Calculate m/z
390.095085
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
PKCHTMJVPXNXSA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O9/c1-24-15-10(21)5-8(6-11(15)22)12-7-9(20)13-14(23)17(25-2)19(27-4)18(26-3)16(13)28-12/h5-7,21-23H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(O)C=3)=CC(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
196372
METABOLOMICS ID
FL3FGGNS0001
PubChem CID
3084508

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 325.47
Topological Polar Surface Area 127.82
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
logP 3.51
Molar Refractivity 99.23

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Updated at
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