Structure Database (LMSD)

Common Name
6-Prenylisocaviunin
Systematic Name
5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone
Synonyms
LM ID
LMPK12050439
Formula
C24H26O8
Exact Mass
Calculate m/z
442.16277
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)
PIYOXJNPMRGPBI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H26O8/c1-12(2)7-8-13-20(25)19-21(26)15(11-32-23(19)24(31-6)22(13)27)14-9-17(29-4)18(30-5)10-16(14)28-3/h7,9-11,25,27H,8H2,1-6H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(OC)C=C(OC)C(OC)=C3)=COC=2C=1OC

Other Databases

METABOLOMICS ID
FLIAFLNI0001
PubChem CID
15730565

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 400.54
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 5.31
Molar Refractivity 120.70

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Updated at
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