Structure Database (LMSD)

Common Name
Lophirone I
Systematic Name
(S)-2,3-Dihydro-7-hydroxy-2-[2-(4-hydroxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12140048
Status
Active
Exact Mass
Calculate m/z
372.099775
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FKAOXSDPCYTXNP-QFIPXVFZSA-N
InChi (Click to copy)
InChI=1S/C23H16O5/c24-16-4-1-13(2-5-16)21-10-15-9-14(3-8-20(15)27-21)22-12-19(26)18-7-6-17(25)11-23(18)28-22/h1-11,22,24-25H,12H2/t22-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC4OC(C5C=CC(O)=CC=5)=CC=4C=3)CC(=O)C2=CC=1

References

Reference
Structures of Lophirones I and J, Minor Cleaved Chalcone Dimers of Lophira lanceolata
J. Nat. Prod. 1994
DOI: 10.1021/np50103a021

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lophira lanceolata (#670087)
Magnoliopsida (#3398)
Structures of Lophirones I and J, Minor Cleaved Chalcone Dimers of Lophira lanceolata,
J. Nat. Prod, 1994
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 4
Rotatable Bonds 2
Van der Waals Molecular Volume 315.97
Topological Polar Surface Area 81.97
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.22
Molar Refractivity 103.74

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Created at
-
Updated at
3rd Feb 2021