Structure Database (LMSD)

Common Name
Cycloartobiloxanthone
Systematic Name
Synonyms
LM ID
LMPK12111514
Formula
C25H22O7
Exact Mass
Calculate m/z
434.136555
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OCZFLOUWXXGBPC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H22O7/c1-24(2)6-5-10-16(31-24)9-14(27)19-20(29)11-7-12-17-18(22(11)30-21(10)19)13(26)8-15(28)23(17)32-25(12,3)4/h5-6,8-9,12,26-28H,7H2,1-4H3
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(O)C=C(O)C(C=3OC=1C1C=CC(C)(C)OC=1C=C2O)=C45

References

Taxonomy Information

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

Other Databases

CHEBI ID
169869
METABOLOMICS ID
FL3FRNND0001
PubChem CID
10342859

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 6
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 371.97
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.04
Molar Refractivity 118.94

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Created at
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Updated at
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