Structure Database (LMSD)

O OH OH HO O
Common Name
Helichrysetin
Systematic Name
4,2',4'-Trihydroxy-6'-methoxychalcone
Synonyms
LM ID
LMPK12120300
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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)
OWGUBYRKZATRIT-QPJJXVBHSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,17-18,20H,1H3/b7-4+
SMILES (Click to copy)
C1(O)=CC(OC)=C(C(=O)/C=C/C2C=CC(O)=CC=2)C(O)=C1

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0132893
CHEBI ID
178332
METABOLOMICS ID
FL1CBANS0001
PubChem CID
6253344

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 261.67
Topological Polar Surface Area 86.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.71
Molar Refractivity 77.79

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Updated at
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