Structure Database (LMSD)

Common Name
5-O-Methyl-8-prenylafzelechin-4beta-ol
Systematic Name
Synonyms
LM ID
LMPK12020212
Formula
C21H24O6
Exact Mass
Calculate m/z
372.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UZKPAEYMUOTYEF-SLFFLAALSA-N
InChi (Click to copy)
InChI=1S/C21H24O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,18-20,22-25H,9H2,1-3H3/t18-,19-,20+/m0/s1
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)[C@@H](O)C=2C(OC)=C1

Other Databases

CHEBI ID
185758
METABOLOMICS ID
FL6DBANI0001
PubChem CID
44257163

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 347.24
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.43
Molar Refractivity 100.75

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Updated at
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