Structure Database (LMSD)

Common Name
4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
Systematic Name
Synonyms
LM ID
LMPK12020217
Formula
C22H26O6
Exact Mass
Calculate m/z
386.17294
Status
Curated
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)
MNZXVIWLGZEPEU-SJBKTWHCSA-N
InChi (Click to copy)
InChI=1S/C22H26O6/c1-12(2)5-10-15-16(24)11-17(26-3)18-21(15)28-20(19(25)22(18)27-4)13-6-8-14(23)9-7-13/h5-9,11,19-20,22-25H,10H2,1-4H3/t19-,20-,22+/m1/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](OC)C=2C(OC)=C1

Other Databases

CHEBI ID
187269
METABOLOMICS ID
FL6DDANI0002
PubChem CID
44257168

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 364.54
Topological Polar Surface Area 90.45
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.08
Molar Refractivity 105.54

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Updated at
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