Structure Database (LMSD)

Common Name
Lophirone J
Systematic Name
(S)-2,3-Dihydro-7-methoxy-2-[2-(4-methoxyphenyl)-5-benzofuranyl]-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12140049
Formula
C25H20O5
Exact Mass
Calculate m/z
400.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

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/

String Representations

InChiKey (Click to copy)
GIIGHMRSPFEORX-DEOSSOPVSA-N
InChi (Click to copy)
InChI=1S/C25H20O5/c1-27-18-6-3-15(4-7-18)23-12-17-11-16(5-10-22(17)29-23)24-14-21(26)20-9-8-19(28-2)13-25(20)30-24/h3-13,24H,14H2,1-2H3/t24-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@H](C3C=CC4OC(C5C=CC(OC)=CC=5)=CC=4C=3)CC(=O)C2=CC=1

Other Databases

CHEBI ID
187631
METABOLOMICS ID
FL2F1ANN0002
PubChem CID
42607816

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 5
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 350.57
Topological Polar Surface Area 59.97
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 5.82
Molar Refractivity 113.51

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Created at
-
Updated at
3rd Feb 2021