Structure Database (LMSD)

Common Name
Euchrenone a5
Systematic Name
Synonyms
LM ID
LMPK12140054
Formula
C25H26O4
Exact Mass
Calculate m/z
390.18311
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VSUQUSVBOASRIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-15(2)5-7-18-20(26)9-8-19-21(27)14-23(28-24(18)19)16-6-10-22-17(13-16)11-12-25(3,4)29-22/h5-6,8-13,23,26H,7,14H2,1-4H3
SMILES (Click to copy)
C1C(O)=C(C/C=C(\C)/C)C2OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=2C=1

Other Databases

METABOLOMICS ID
FL2F1ANP0005
PubChem CID
14769498

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 381.22
Topological Polar Surface Area 59.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.08
Molar Refractivity 114.25

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Updated at
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