Structure Database (LMSD)

Common Name
Cycloartocarpin
Systematic Name
Synonyms
  • isoartocarpin
LM ID
LMPK12110933
Formula
C26H26O6
Exact Mass
Calculate m/z
434.17294
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)
CTAPCZWGIAZCKE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H26O6/c1-13(2)6-8-16-18(30-5)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(27)7-9-17(19)26(23)32-21/h6-7,9-12,20,27-28H,8H2,1-5H3
SMILES (Click to copy)
C1(OC)=CC2OC3C4C=CC(O)=CC=4OC(/C=C(\C)/C)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL3FALNR0003
PubChem CID
44258300

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 6.69
Molar Refractivity 123.84

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Updated at
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