Structure Database (LMSD)

Common Name
2-Hydroxyhomopterocarpin
Systematic Name
6aR,11aR-2-hydroxy-3-methoxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070065
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
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/
Neorautanenia (#167619)
Magnoliopsida (#3398)
Neorautanenia pterocarpans : The isolation, structure and absolute configuration of (−)-2-hydroxypterocarpin, a new pterocarpan from Neorautanenia edulis,
Tetrahedron, 1970

String Representations

InChiKey (Click to copy)
GDUBLLYLIZLLNX-BTDLBPIBSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-19-14-4-12-9(2-11(14)18)17-10(6-20-12)8-3-15-16(22-7-21-15)5-13(8)23-17/h2-5,10,17-18H,6-7H2,1H3/t10-,17-/m0/s1
SMILES (Click to copy)
C1(OC)C(O)=CC2[C@]3([H])OC4=CC5OCOC=5C=C4[C@]3([H])COC=2C=1

Other Databases

METABOLOMICS ID
FLID2CNS0001
PubChem CID
22296124

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 255.96
Topological Polar Surface Area 74.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.02
Molar Refractivity 79.32

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Created at
-
Updated at
15th Jan 2026