Structure Database (LMSD)

Common Name
Latifolin
Systematic Name
Synonyms
  • (R)-5,2'-Dihydroxy-2,4-dimethoxydalbergiquinol
LM ID
LMPK12100064
Formula
C17H18O4
Exact Mass
Calculate m/z
286.12051
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Neoflavonoids [PK1210]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
OJVQOGDGFIJYPN-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C17H18O4/c1-4-11(12-7-5-6-8-14(12)18)13-9-15(19)17(21-3)10-16(13)20-2/h4-11,18-19H,1H2,2-3H3/t11-/m1/s1
SMILES (Click to copy)
C1(OC)C(O)=CC([C@@]([H])(C2C(O)=CC=CC=2)C=C)=C(OC)C=1

Other Databases

METABOLOMICS ID
FLNC28NS0001
PubChem CID
340211

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 272.82
Topological Polar Surface Area 58.92
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.43
Molar Refractivity 81.36

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Updated at
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