Structure Database (LMSD)

Common Name
Isomatteucinol
Systematic Name
5,7-Dihydroxy-3'-methoxy-6,8-dimethylflavanone
Synonyms
LM ID
LMPK12140202
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
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)
BZYOCVKVXZEFJW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-5-4-6-12(7-11)22-3/h4-7,14,20-21H,8H2,1-3H3
SMILES (Click to copy)
C1(O)C(C)=C2OC(C3C=CC=C(OC)C=3)CC(=O)C2=C(O)C=1C

Other Databases

METABOLOMICS ID
FL2FA9NM0016
PubChem CID
42607882

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.43
Molar Refractivity 84.56

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Updated at
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