Structure Database (LMSD)

Common Name
Lanceoletin
Systematic Name
(E)-3'-Methoxy-2',3,4,4'-tetrahydroxychalcone
Synonyms
LM ID
LMPK12120182
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
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]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Leptosyne bigelovii (#159656)
Magnoliopsida (#3398)
Flavonoids and affinities of Coreopsis bigelovii,
Phytochemistry, 1979

String Representations

InChiKey (Click to copy)
PBTMZSWZVLUWGV-GORDUTHDSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-22-16-13(19)7-4-10(15(16)21)11(17)5-2-9-3-6-12(18)14(20)8-9/h2-8,18-21H,1H3/b5-2+
SMILES (Click to copy)
C1(O)=CC=C(C(=O)/C=C/C2C=CC(O)=C(O)C=2)C(O)=C1OC

Other Databases

METABOLOMICS ID
FL1C3CNS0002
PubChem CID
42607581

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 270.46
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.41
Molar Refractivity 79.46

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Created at
-
Updated at
17th Mar 2025