Structure Database (LMSD)

Systematic Name
(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
Synonyms
LM ID
LMPK12140494
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
YIMXACQKSLBLPF-QHCPKHFHSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-7-26(4,5)17-10-16(22(31-6)12-19(17)28)23-13-21(30)24-20(29)11-18(27)15(25(24)32-23)9-8-14(2)3/h7-8,10-12,23,27-29H,1,9,13H2,2-6H3/t23-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(C(C=C)(C)C)C(O)=CC=3OC)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
193330
METABOLOMICS ID
FL2FALNI0033
PubChem CID
10478289

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.49
Molar Refractivity 123.10

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Updated at
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