Structure Database (LMSD)

Common Name
Junipegenin C
Systematic Name
5,7-Dihydroxy-6,3',4',5'-tetramethoxyisoflavone
Synonyms
LM ID
LMPK12050418
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GNGPPTXVHWEWBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)19(13)26-4)10-8-27-12-7-11(20)18(25-3)17(22)15(12)16(10)21/h5-8,20,22H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=C(OC)C(OC)=C(OC)C=3)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FLIAEGNS0002
PubChem CID
44133604

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

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Updated at
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