Structure Database (LMSD)

Common Name
Kanzonol Y
Systematic Name
4,2',4',α-Tetrahydroxy-3,5'-diprenyldihydrochalcone
Synonyms
LM ID
LMPK12120571
Formula
C25H30O5
Exact Mass
Calculate m/z
410.209325
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)
DKIYWPRXYDNQFG-XMMPIXPASA-N
InChi (Click to copy)
InChI=1S/C25H30O5/c1-15(2)5-8-18-11-17(7-10-21(18)26)12-24(29)25(30)20-13-19(9-6-16(3)4)22(27)14-23(20)28/h5-7,10-11,13-14,24,26-29H,8-9,12H2,1-4H3/t24-/m1/s1
SMILES (Click to copy)
C1(C/C=C(/C)\C)C=C(C(=O)[C@H](O)CC2C=CC(O)=C(C/C=C(\C)/C)C=2)C(O)=CC=1O

Other Databases

METABOLOMICS ID
FL1DHXNI0001
PubChem CID
10001604

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 414.73
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.89
Molar Refractivity 118.70

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Updated at
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