Structure Database (LMSD)

Common Name
Sideroxylin
Systematic Name
4',5-Dihydroxy-7-methoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12111016
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QJSQOGJCHBXLAH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
69916
METABOLOMICS ID
FL3FCANM0001
PubChem CID
3083788

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 273.01
Topological Polar Surface Area 79.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.40
Molar Refractivity 87.38

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Updated at
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