Structure Database (LMSD)

Common Name
5-O-Methyllatifolin
Systematic Name
Synonyms
  • (R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol
LM ID
LMPK12100065
Formula
C18H20O4
Exact Mass
Calculate m/z
300.13616
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)
NKFNPUQSPATHPN-GFCCVEGCSA-N
InChi (Click to copy)
InChI=1S/C18H20O4/c1-5-12(13-8-6-7-9-15(13)19)14-10-17(21-3)18(22-4)11-16(14)20-2/h5-12,19H,1H2,2-4H3/t12-/m1/s1
SMILES (Click to copy)
C1(OC)C(OC)=CC([C@@]([H])(C2C(O)=CC=CC=2)C=C)=C(OC)C=1

Other Databases

CHEBI ID
178248
METABOLOMICS ID
FLNC28NS0002
PubChem CID
340212

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 290.12
Topological Polar Surface Area 47.92
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.74
Molar Refractivity 86.24

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Updated at
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