Structure Database (LMSD)

Common Name
4'-O-Methyldiplacone
Systematic Name
Synonyms
LM ID
LMPK12140382
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
FVUVHWPNLPHERN-LZYBPNLTSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/CC/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FAENI0001
PubChem CID
42607985

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.75
Molar Refractivity 122.87

Admin

Created at
-
Updated at
-