Structure Database (LMSD)

Common Name
Lophirone E
Systematic Name
Synonyms
LM ID
LMPK12120075
Formula
C23H16O5
Exact Mass
Calculate m/z
372.099775
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)
ASHHFRLYDYFCHN-XLUWADSXSA-N
InChi (Click to copy)
InChI=1S/C23H16O5/c24-17-5-3-15(4-6-17)23-12-16-11-14(2-10-22(16)28-23)1-9-20(26)19-8-7-18(25)13-21(19)27/h1-13,24-25,27H/b9-1+
SMILES (Click to copy)
C1=CC2OC(C3C=CC(O)=CC=3)=CC=2C=C1/C=C/C(=O)C1C(O)=CC(O)=CC=1

Other Databases

CHEBI ID
185765
METABOLOMICS ID
FL1C1ANN0002
PubChem CID
14376454

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 325.69
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.11
Molar Refractivity 106.45

Admin

Created at
-
Updated at
3rd Feb 2021