Structure Database (LMSD)

Common Name
Lophirone D
Systematic Name
Synonyms
LM ID
LMPK12120074
Formula
C24H16O6
Exact Mass
Calculate m/z
400.09469
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lophira lanceolata (#670087)
Magnoliopsida (#3398)
Lophirones D and E: Two New Cleaved Biflavonoids from Lophira lanceolata,
J. Nat. Prod., 1989
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
QTLOYOSKGRNTNQ-XLUWADSXSA-N
InChi (Click to copy)
InChI=1S/C24H16O6/c25-13-20-19-11-14(1-9-21(28)18-8-7-17(27)12-22(18)29)2-10-23(19)30-24(20)15-3-5-16(26)6-4-15/h1-13,26-27,29H/b9-1+
SMILES (Click to copy)
C1=CC2OC(C3C=CC(O)=CC=3)=C(C=O)C=2C=C1/C=C/C(=O)C1C(O)=CC(O)=CC=1

Other Databases

METABOLOMICS ID
FL1C1ANN0001
PubChem CID
14376455

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 4
Rotatable Bonds 5
Van der Waals Molecular Volume 349.14
Topological Polar Surface Area 107.97
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.93
Molar Refractivity 111.84

Admin

Created at
-
Updated at
3rd Feb 2021