Structure Database (LMSD)

Common Name
1'',2''-Dihydro-O-methylcyclopomiferin
Systematic Name
Synonyms
LM ID
LMPK12050257
Formula
C26H28O6
Exact Mass
Calculate m/z
436.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
RMFBGIVQEFNLAE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O6/c1-25(2)10-8-15-22(31-25)16-9-11-26(3,4)32-24(16)20-21(28)17(13-30-23(15)20)14-6-7-18(27)19(12-14)29-5/h6-7,12-13,27H,8-11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)CCC=1C1OC=C(C3C=CC(O)=C(OC)C=3)C(=O)C=1C1OC(C)(C)CCC2=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
185600
METABOLOMICS ID
FLIAADNP0001
PubChem CID
44257306

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 395.48
Topological Polar Surface Area 82.27
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 6.85
Molar Refractivity 123.32

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Updated at
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