Structure Database (LMSD)

Systematic Name
3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
Synonyms
LM ID
LMPK12120535
Formula
C26H32O6
Exact Mass
Calculate m/z
440.21989
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)
BIIFTUNBVKLFER-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H32O6/c1-15(2)6-9-18-12-17(13-23(30)26(18)32-5)8-11-20(27)24-22(29)14-21(28)19(25(24)31)10-7-16(3)4/h6-7,12-14,28-31H,8-11H2,1-5H3
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C(O)C(C(=O)CCC2C=C(O)C(OC)=C(C/C=C(\C)/C)C=2)=C(O)C=1

Other Databases

CHEBI ID
185644
METABOLOMICS ID
FL1DAENI0001
PubChem CID
15291553

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 2
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 440.82
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.35
Molar Refractivity 125.02

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Updated at
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