Structure Database (LMSD)

Common Name
2-Methoxyhomopterocarpin
Systematic Name
2,3,9-Trimethoxypterocarpan
Synonyms
LM ID
LMPK12070064
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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/
Pisum sativum (#3888)
Magnoliopsida (#3398)
Identification of three new pterocarpans (6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyrans) from Pisum sativum infected with Fusarium solani f. sp. pisi,
J Chem Soc, Perkin Trans 1, 1975

String Representations

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

Other Databases

HMDB ID
HMDB0033787
CHEBI ID
175030
METABOLOMICS ID
FLID2ANS0003
PubChem CID
71182790

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
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Updated at
4th Feb 2026