Structure Database (LMSD)

Common Name
Pinostrobin
Systematic Name
(2S)-2,3-Dihydro-5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one
Synonyms
  • Dihydrotectochrysin
LM ID
LMPK12140216
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum
View ion mobility data

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Pinus (#3337)
Pinopsida (#58019)
Constituents of Pine Heartwood. XXVI. A General Discussion.,
Acta Chem Scand, 1951

String Representations

InChiKey (Click to copy)
ORJDDOBAOGKRJV-AWEZNQCLSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2O[C@H](C3C=CC=CC=3)CC(=O)C=2C(O)=C1

Other Databases

KEGG ID
C16419
CHEBI ID
80491
METABOLOMICS ID
FL2FA9NS0003
PubChem CID
73201

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 243.16
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.11
Molar Refractivity 73.42

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Created at
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Updated at
3rd Jul 2025