Structure Database (LMSD)

OH OH O O OH HO
Common Name
Diuvaretin
Systematic Name
Synonyms
LM ID
LMPK12120472
Formula
C30H28O6
Exact Mass
Calculate m/z
484.18859
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)
KDEMELRYKGOXDL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H28O6/c1-36-30-23(18-21-12-6-8-14-25(21)32)28(34)22(17-20-11-5-7-13-24(20)31)29(35)27(30)26(33)16-15-19-9-3-2-4-10-19/h2-14,31-32,34-35H,15-18H2,1H3
SMILES (Click to copy)
C1(O)C(CC2C=CC=CC=2O)=C(OC)C(C(=O)CCC2C=CC=CC=2)=C(O)C=1CC1C(O)=CC=CC=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
65802
METABOLOMICS ID
FL1DA9NC0006
PubChem CID
3085222

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 4
Rotatable Bonds 9
Van der Waals Molecular Volume 452.94
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.51
Molar Refractivity 137.24

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Created at
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Updated at
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