Structure Database (LMSD)

Common Name
2-Methoxypterocarpin
Systematic Name
2,3-Dimethoxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070068
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HPRCMYHWQYUZKB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-19-14-4-10-12(5-15(14)20-2)21-7-11-9-3-16-17(23-8-22-16)6-13(9)24-18(10)11/h3-6,11,18H,7-8H2,1-2H3
SMILES (Click to copy)
C1(OC)C(OC)=CC2C3OC4=CC5OCOC=5C=C4C3COC=2C=1

Other Databases

METABOLOMICS ID
FLID2CNS0004
PubChem CID
630018

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 273.26
Topological Polar Surface Area 63.66
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.33
Molar Refractivity 84.21

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Updated at
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