Structure Database (LMSD)

Common Name
Cycloartocarpin A
Systematic Name
Synonyms
LM ID
LMPK12110936
Formula
C26H26O6
Exact Mass
Calculate m/z
434.17294
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)
FUOITKFXHPXSCA-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C26H26O6/c1-13(2)6-8-16-18(27)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(30-5)7-9-17(19)26(23)32-21/h6-13,20,27-28H,1-5H3/b8-6+
SMILES (Click to copy)
C1(O)=CC2OC3C4C=CC(OC)=CC=4OC(/C=C(\C)/C)C=3C(=O)C=2C(O)=C1/C=C/C(C)C

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0041166
CHEBI ID
187603
METABOLOMICS ID
FL3FALNR0006
PubChem CID
44258302

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 402.56
Topological Polar Surface Area 91.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.85
Molar Refractivity 124.58

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Updated at
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