Structure Database (LMSD)

Common Name
Prostratol F
Systematic Name
(2S)-7,4'-Dihydroxy-8-geranylflavanone
Synonyms
LM ID
LMPK12140046
Status
Active
Exact Mass
Calculate m/z
392.19876
Formula
C25H28O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
IJCCBLTVMMYSFZ-WAKDBBHESA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-16(2)5-4-6-17(3)7-12-20-22(27)14-13-21-23(28)15-24(29-25(20)21)18-8-10-19(26)11-9-18/h5,7-11,13-14,24,26-27H,4,6,12,15H2,1-3H3/b17-7+/t24-/m0/s1
SMILES (Click to copy)
C1(O)C(C/C=C(/CC/C=C(/C)\C)\C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
85127
METABOLOMICS ID
FL2F1ANI0013
PubChem CID
42607813

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 393.58
Topological Polar Surface Area 68.83
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.04
Molar Refractivity 114.66

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Updated at
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