Structure Database (LMSD)

HO OH HO OH OH O
Common Name
Ramosismin
Systematic Name
3'-Prenyl-2,4,5,2',4'-pentahydroxychalcone
Synonyms
LM ID
LMPK12120125
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
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)
GMUQYFZXKQJSME-QPJJXVBHSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-11(2)3-5-13-16(22)8-6-14(20(13)26)15(21)7-4-12-9-18(24)19(25)10-17(12)23/h3-4,6-10,22-26H,5H2,1-2H3/b7-4+
SMILES (Click to copy)
C1C=C(C(/C=C/C2C=C(O)C(O)=CC=2O)=O)C(O)=C(C/C=C(\C)/C)C=1O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C1LNI0007
PubChem CID
42607546

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 2
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 337.02
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 3.62
Molar Refractivity 97.71

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Updated at
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