Structure Database (LMSD)

Common Name
Carpachromene
Systematic Name
5,4'-Dihidroxy-6'',6''-dimethylpyrano[2'',3'':7,6]flavone
Synonyms
LM ID
LMPK12110426
Formula
C20H16O5
Exact Mass
Calculate m/z
336.099775
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YXOATFKTEDZPFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=C1OC(C)(C)C=CC1=C2O

Other Databases

CHEBI ID
196359
METABOLOMICS ID
FL3FAANP0007
PubChem CID
10449654

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 292.61
Topological Polar Surface Area 81.97
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.24
Molar Refractivity 95.61

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Updated at
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