Structure Database (LMSD)

Common Name
Nordurlettone
Systematic Name
7-Hydroxy-4'-prenyloxyisoflavone
Synonyms
LM ID
LMPK12050030
Formula
C20H18O4
Exact Mass
Calculate m/z
322.12051
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)
MGGDNAFTNJHURM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O4/c1-13(2)9-10-23-16-6-3-14(4-7-16)18-12-24-19-11-15(21)5-8-17(19)20(18)22/h3-9,11-12,21H,10H2,1-2H3
SMILES (Click to copy)
C1(O)C=CC2C(=O)C(C3=CC=C(OC/C=C(/C)\C)C=C3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIA1ANI0004
PubChem CID
44257226

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 296.18
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.70
Molar Refractivity 95.11

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Updated at
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