Structure Database (LMSD)

Common Name
Cycloaltilisin 7
Systematic Name
5,4'-Dihydroxy-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone
Synonyms
LM ID
LMPK12140317
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
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)
VSBUTPUUSVOZDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-15(2)5-4-11-25(3)12-10-18-22(30-25)14-20(28)23-19(27)13-21(29-24(18)23)16-6-8-17(26)9-7-16/h5-10,12,14,21,26,28H,4,11,13H2,1-3H3
SMILES (Click to copy)
C12OC(C)(CC/C=C(/C)\C)C=CC=1C1OC(C3C=CC(O)=CC=3)CC(=O)C=1C(O)=C2

Other Databases

CHEBI ID
186679
METABOLOMICS ID
FL2FAANP0012
PubChem CID
11811595

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 390.01
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.00
Molar Refractivity 115.77

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Updated at
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