Structure Database (LMSD)

Common Name
Piscerythrone
Systematic Name
5,7,2',4'-Tetrahydroxy-5'-methoxy-3'-prenylisoflavone
Synonyms
LM ID
LMPK12050289
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
Status
Active
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)
LNKQZQNXQQZHHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-10(2)4-5-12-19(24)13(8-17(27-3)20(12)25)14-9-28-16-7-11(22)6-15(23)18(16)21(14)26/h4,6-9,22-25H,5H2,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C=C(OC)C(O)=C(C/C=C(\C)/C)C=3O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIAALNI0004
PubChem CID
12314353

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 339.85
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.70
Molar Refractivity 104.37

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Updated at
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