Structure Database (LMSD)

Common Name
Flemiphyllin
Systematic Name
5,7,4'-Trihydroxy-8,3',5'-triprenylisoflavone
Synonyms
LM ID
LMPK12050193
Formula
C30H34O5
Exact Mass
Calculate m/z
474.240625
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)
FKQMIMOLIFCHFV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O5/c1-17(2)7-10-20-13-22(14-21(28(20)33)11-8-18(3)4)24-16-35-30-23(12-9-19(5)6)25(31)15-26(32)27(30)29(24)34/h7-9,13-16,31-33H,10-12H2,1-6H3
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C(C/C=C(\C)/C)=C3)=COC=2C=1C/C=C(/C)\C

Other Databases

METABOLOMICS ID
FLIAAANI0006
PubChem CID
44257286

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 472.69
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 8.00
Molar Refractivity 142.43

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Updated at
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