Structure Database (LMSD)

Common Name
(-)-Homopterocarpin
Systematic Name
3,9-Dimethoxypterocarpan
Synonyms
  • Baphinitone
LM ID
LMPK12070031
Formula
C17H16O4
Exact Mass
Calculate m/z
284.10486
Status
Active
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)
VPGIGLKLCFOWDN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3
SMILES (Click to copy)
C1(OC)C=CC2C3OC4=CC(OC)=CC=C4C3COC=2C=1

Other Databases

METABOLOMICS ID
FLID1ANS0004
PubChem CID
454892

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 250.74
Topological Polar Surface Area 41.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.60
Molar Refractivity 78.08

Admin

Created at
-
Updated at
-