Structure Database (LMSD)

Common Name
2-Methoxymedicarpin
Systematic Name
3-Hydroxy-2,9-dimethoxypterocarpan
Synonyms
LM ID
LMPK12070063
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
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)
YVBGQNQUTOVRER-SJCJKPOMSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-14-7-13(18)16(20-2)6-11(14)17(12)22-15(10)5-9/h3-7,12,17-18H,8H2,1-2H3/t12-,17-/m0/s1
SMILES (Click to copy)
C1(O)C(OC)=CC2[C@]3([H])OC4=CC(OC)=CC=C4[C@]3([H])COC=2C=1

Other Databases

HMDB ID
HMDB0033861
CHEBI ID
174864
METABOLOMICS ID
FLID2ANS0002
PubChem CID
162939873

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 259.53
Topological Polar Surface Area 61.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.30
Molar Refractivity 79.75

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Created at
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Updated at
5th Feb 2026