Structure Database (LMSD)

Common Name
Sanggenol O
Systematic Name
(2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone
Synonyms
LM ID
LMPK12140524
Formula
C25H24O6
Exact Mass
Calculate m/z
420.15729
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)
NJVSYIMNJLJFLD-IBGZPJMESA-N
InChi (Click to copy)
InChI=1S/C25H24O6/c1-24(2)7-5-13-9-16(23-15(22(13)30-24)6-8-25(3,4)31-23)19-12-18(28)21-17(27)10-14(26)11-20(21)29-19/h5-11,19,26-27H,12H2,1-4H3/t19-/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C4OC(C)(C)C=CC=4C4OC(C)(C)C=CC=4C=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
178575
METABOLOMICS ID
FL2FALNP0020
PubChem CID
42608050

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 386.44
Topological Polar Surface Area 91.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 5.75
Molar Refractivity 117.04

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Created at
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Updated at
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