Structure Database (LMSD)

Common Name
Desmocarpin
Systematic Name
(6aR,11aR)-1,9-Dihydroxy-3-methoxypterocarpan
Synonyms
LM ID
LMPK12070105
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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/
Pleurolobus gangeticus (#670324)
Magnoliopsida (#3398)
The Structure of Desmocarpin, a Pterocarpan Phytoalexin from Desmodium gangeticum,
Z Naturforsch C, 1984

String Representations

InChiKey (Click to copy)
WEVPCLOHVKGGEZ-MEDUHNTESA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-19-9-5-12(18)15-14(6-9)20-7-11-10-3-2-8(17)4-13(10)21-16(11)15/h2-6,11,16-18H,7H2,1H3/t11-,16+/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC[C@@]3([H])C4C=CC(O)=CC=4O[C@@]3([H])C=2C(O)=C1

Other Databases

HMDB ID
HMDB0138507
CHEBI ID
178309
METABOLOMICS ID
FLIDCANS0001
PubChem CID
185161

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 242.23
Topological Polar Surface Area 72.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.00
Molar Refractivity 74.86

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Created at
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Updated at
5th Mar 2026