Structure Database (LMSD)

Common Name
Monotesone B
Systematic Name
5,7,3',5'-Tetrahydroxy-6,8-diprenylflavanone
Synonyms
LM ID
LMPK12140186
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
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)
OKBQXURKDRNMAB-NRFANRHFSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-7-18-23(29)19(8-6-14(3)4)25-22(24(18)30)20(28)12-21(31-25)15-9-16(26)11-17(27)10-15/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=C(O)C=C(O)C=3)CC(=O)C2=C(O)C=1C/C=C(/C)\C

Other Databases

CHEBI ID
70019
METABOLOMICS ID
FL2FA9NI0023
PubChem CID
26213315

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.23
Molar Refractivity 118.13

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Updated at
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