Structure Database (LMSD)

Common Name
4-Hydroxypterocarpin
Systematic Name
4-Hydroxy-3-methoxy-8,9-methylenedioxypterocarpan
Synonyms
LM ID
LMPK12070082
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
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/
Dalbergia spruceana (#1353472)
Magnoliopsida (#3398)
Pterocarpans from Dalbergia spruceana,
Phytochemistry, 1978

String Representations

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

Other Databases

METABOLOMICS ID
FLID3CNS0003
PubChem CID
155518405

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
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Updated at
4th Feb 2026