Structure Database (LMSD)

Common Name
Amorphaquinone
Systematic Name
7-Hydroxy-8,3',4'-trimethoxyisoflavanquinone
Synonyms
LM ID
LMPK12080054
Formula
C18H18O7
Exact Mass
Calculate m/z
346.105255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavans [PK1208]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PMGNYGMMSWPZPE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O7/c1-22-16-12(19)5-4-9-6-10(8-25-15(9)16)11-7-13(20)17(23-2)18(24-3)14(11)21/h4-5,7,10,19H,6,8H2,1-3H3
SMILES (Click to copy)
C1(O)C=CC2CC(C3=CC(=O)C(OC)=C(OC)C3=O)COC=2C=1OC

Other Databases

CHEBI ID
168219
METABOLOMICS ID
FLICQUNS0005
PubChem CID
10405331

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 315.03
Topological Polar Surface Area 93.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 1.82
Molar Refractivity 86.98

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Updated at
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