Structure Database (LMSD)

Systematic Name
8-C-Prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
Synonyms
LM ID
LMPK12140016
Formula
C25H26O3
Exact Mass
Calculate m/z
374.188195
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)
VBTDTADYYPMGAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O3/c1-16(2)10-11-19-23-18(12-13-25(3,4)28-23)14-20-21(26)15-22(27-24(19)20)17-8-6-5-7-9-17/h5-10,12-14,22H,11,15H2,1-4H3
SMILES (Click to copy)
C1C(C2CC(=O)C3C=C4C=CC(C)(C)OC4=C(C/C=C(\C)/C)C=3O2)=CC=CC=1

Other Databases

CHEBI ID
183125
METABOLOMICS ID
FL2F19NP0002
PubChem CID
42607800

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 372.43
Topological Polar Surface Area 39.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 6.37
Molar Refractivity 112.59

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Updated at
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