Structure Database (LMSD)

O HO HO O O
Common Name
5-O-Methylchamanetin
Systematic Name
Synonyms
LM ID
LMPK12140148
Formula
C23H20O5
Exact Mass
Calculate m/z
376.131075
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)
KKEXONXLVLHEJJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H20O5/c1-27-21-12-18(25)16(11-15-9-5-6-10-17(15)24)23-22(21)19(26)13-20(28-23)14-7-3-2-4-8-14/h2-10,12,20,24-25H,11,13H2,1H3
SMILES (Click to copy)
C1(O)=C(CC2C(O)=CC=CC=2)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

References

Taxonomy Information

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

Other Databases

CHEBI ID
140136
METABOLOMICS ID
FL2FA9NC0003
PubChem CID
155587

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 341.87
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.40
Molar Refractivity 104.33

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Updated at
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