Structure Database (LMSD)

Systematic Name
(6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan
Synonyms
LM ID
LMPK12070056
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/
Pterocarpus soyauxii (#1071200)
Magnoliopsida (#3398)
Flavonoid analogues from Pterocarpus species,
Phytochemistry, 1987

String Representations

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

Other Databases

HMDB ID
HMDB0033291
CHEBI ID
174726
METABOLOMICS ID
FLID1CNS0007
PubChem CID
24882408

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
-
Updated at
4th Mar 2026