Structure Database (LMSD)

HO OH OH O
Common Name
Kanzonol C
Systematic Name
Synonyms
LM ID
LMPK12120048
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
CBGDCCSHOGQUSW-MDWZMJQESA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3/b13-8+
SMILES (Click to copy)
C1=CC(O)=C(C/C=C(\C)/C)C=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C1ANI0011
PubChem CID
5316802

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 403.30
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.72
Molar Refractivity 117.51

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Updated at
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