Structure Database (LMSD)

Common Name
Laxiflorin
Systematic Name
5,7,4'-Trihydroxy-3'-methoxy-6-(β-hydroxyethyl)-8-prenylflavanone
Synonyms
LM ID
LMPK12140443
Formula
C23H26O7
Exact Mass
Calculate m/z
414.167855
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
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
WSOXDOHWHXWKEQ-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C23H26O7/c1-12(2)4-6-15-21(27)14(8-9-24)22(28)20-17(26)11-18(30-23(15)20)13-5-7-16(25)19(10-13)29-3/h4-5,7,10,18,24-25,27-28H,6,8-9,11H2,1-3H3/t18-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=C(OC)C=3)CC(=O)C2=C(O)C=1CCO

Other Databases

CHEBI ID
178333
METABOLOMICS ID
FL2FADNI0005
PubChem CID
42608009

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 387.99
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.85
Molar Refractivity 111.16

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Updated at
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