Structure Database (LMSD)

Common Name
Gancaonin Q
Systematic Name
Synonyms
LM ID
LMPK12110409
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]
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)
WGNIVAMNAWBYRO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)=CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

HMDB ID
HMDB0038875
CHEBI ID
175260
METABOLOMICS ID
FL3FAANI0001
PubChem CID
480802

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 388.83
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 6.49
Molar Refractivity 119.29

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Updated at
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