Structure Database (LMSD)

Common Name
6-C-Prenyl-8-C-methylpinocembrin
Systematic Name
Synonyms
LM ID
LMPK12140176
Formula
C21H22O4
Exact Mass
Calculate m/z
338.15181
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BMEJCGKQLXCIJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O4/c1-12(2)9-10-15-19(23)13(3)21-18(20(15)24)16(22)11-17(25-21)14-7-5-4-6-8-14/h4-9,17,23-24H,10-11H2,1-3H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FA9NI0013
PubChem CID
42607875

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 327.02
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.62
Molar Refractivity 96.40

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Updated at
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