Structure Database (LMSD)

O O O O O O O
Common Name
Erythynone
Systematic Name
(+)-2,3,10-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':9,8]rotenone
Synonyms
LM ID
LMPK12060022
Formula
C24H24O7
Exact Mass
Calculate m/z
424.152205
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

String Representations

InChiKey (Click to copy)
MFTMKRIDUBXOMI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H24O7/c1-24(2)7-6-12-22-14(9-18(28-5)23(12)31-24)21(25)20-13-8-16(26-3)17(27-4)10-15(13)29-11-19(20)30-22/h6-10,19-20H,11H2,1-5H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3COC4C(=CC(OC)=C(OC)C=4)C3C(=O)C=1C=C2OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIF2LNP0001
PubChem CID
14704460

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 380.57
Topological Polar Surface Area 78.66
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.87
Molar Refractivity 114.78

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Updated at
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