Structure Database (LMSD)

Common Name
(R)-5-Hydroxy-2,4-dimethoxydalbergiquinol
Systematic Name
Synonyms
LM ID
LMPK12100068
Formula
C17H18O3
Exact Mass
Calculate m/z
270.125595
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)
SLLCQEPKLKMZKP-CYBMUJFWSA-N
InChi (Click to copy)
InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m1/s1
SMILES (Click to copy)
C1(OC)C(O)=CC([C@@]([H])(C2C=CC=CC=2)C=C)=C(OC)C=1

Other Databases

CHEBI ID
197083
METABOLOMICS ID
FLNC29NS0003
PubChem CID
11687648

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 264.03
Topological Polar Surface Area 38.69
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.73
Molar Refractivity 79.69

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Updated at
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