Structure Database (LMSD)

HO HO O O OH O O
Common Name
Lonchocarpol E
Systematic Name
Synonyms
LM ID
LMPK12140265
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
MLJXXOUQWDXXEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-24(2,28)18-9-14-21(31-18)15-10-19(25(3,4)29)32-23(15)20-16(27)11-17(30-22(14)20)12-5-7-13(26)8-6-12/h5-8,17-19,26,28-29H,9-11H2,1-4H3
SMILES (Click to copy)
C12CC(C(O)(C)C)OC=1C1C(=O)CC(C3C=CC(O)=CC=3)OC=1C1CC(C(O)(C)C)OC=12

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
184813
METABOLOMICS ID
FL2FAANF0003
PubChem CID
13846824

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 400.51
Topological Polar Surface Area 111.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.39
Molar Refractivity 117.75

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Created at
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Updated at
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