Structure Database (LMSD)

Systematic Name
2',4',6',3,4-Pentahydroxy- 3',5-diprenyldihydrochalcone
Synonyms
LM ID
LMPK12120531
Formula
C25H30O6
Exact Mass
Calculate m/z
426.20424
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BXFDBOZJOZAQPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O6/c1-14(2)5-8-17-11-16(12-22(29)24(17)30)7-10-19(26)23-21(28)13-20(27)18(25(23)31)9-6-15(3)4/h5-6,11-13,27-31H,7-10H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C(O)C(C(=O)CCC2C=C(O)C(O)=C(C/C=C(\C)/C)C=2)=C(O)C=1

Other Databases

METABOLOMICS ID
FL1DACNI0001
PubChem CID
42607702

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 423.52
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 5.05
Molar Refractivity 120.13

Admin

Created at
-
Updated at
-