Structure Database (LMSD)

Common Name
4-Methoxyhomopterocarpin
Systematic Name
3,4,9-Trimethoxypterocarpan
Synonyms
LM ID
LMPK12070076
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
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/
Bobgunnia madagascariensis (#149635)
Magnoliopsida (#3398)
Pterocarpanoid constituents of the heartwoods of Pericopsis angolensis and Swartzia madagascariensis,
J Chem Society C, 1969

String Representations

InChiKey (Click to copy)
XLPOISABZDNFQM-BBRMVZONSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-19-10-4-5-11-13-9-22-17-12(16(13)23-15(11)8-10)6-7-14(20-2)18(17)21-3/h4-8,13,16H,9H2,1-3H3/t13-,16-/m0/s1
SMILES (Click to copy)
C1(OC)C=CC2[C@]3([H])OC4=CC(OC)=CC=C4[C@]3([H])COC=2C=1OC

Other Databases

HMDB ID
HMDB0030567
CHEBI ID
175028
METABOLOMICS ID
FLID3ANS0005
PubChem CID
44257458

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 276.83
Topological Polar Surface Area 50.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.61
Molar Refractivity 84.64

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Created at
-
Updated at
4th Feb 2026