Structure Database (LMSD)

Common Name
Microfolione
Systematic Name
(2R)-5,7-Dihydroxy-8-methoxy-6-prenylflavanone
Synonyms
LM ID
LMPK12140656
Formula
C21H22O5
Exact Mass
Calculate m/z
354.146725
Status
Active
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)
IMGRRXXTMXIKTA-MRXNPFEDSA-N
InChi (Click to copy)
InChI=1S/C21H22O5/c1-12(2)9-10-14-18(23)17-15(22)11-16(13-7-5-4-6-8-13)26-20(17)21(25-3)19(14)24/h4-9,16,23-24H,10-11H2,1-3H3/t16-/m1/s1
SMILES (Click to copy)
C1(O)C(OC)=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FF9NI0002
PubChem CID
637437

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 335.81
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.32
Molar Refractivity 98.22

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Updated at
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