Structure Database (LMSD)

Common Name
Sanggenol A
Systematic Name
5,7,2',4'-Tetrahydroxy-3'-geranylflavanone
Synonyms
LM ID
LMPK12140495
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
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)
QNPMSYLDWCXEOI-CEMXSPGASA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-17-19(27)10-9-18(25(17)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC(O)=C(C/C=C(/CC/C=C(/C)\C)\C)C=3O)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FALNI0034
PubChem CID
15233693

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.45
Molar Refractivity 117.99

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Updated at
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