Structure Database (LMSD)

Common Name
Piscidone
Systematic Name
5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone
Synonyms
LM ID
LMPK12050290
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
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)
SEUWRLQJBMWXPD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-10(2)4-5-12-18(16(27-3)8-15(24)20(12)25)13-9-28-17-7-11(22)6-14(23)19(17)21(13)26/h4,6-9,22-25H,5H2,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC=C(C3C(C/C=C(\C)/C)=C(O)C(O)=CC=3OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FLIAALNI0005
PubChem CID
44257313

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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