Structure Database (LMSD)

Common Name
Folitenol
Systematic Name
Synonyms
LM ID
LMPK12070023
Status
Active
Exact Mass
Calculate m/z
390.18311
Formula
C25H26O4
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

String Representations

InChiKey (Click to copy)
XERSCIKBWOLVNC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-14(2)5-6-15-11-18-22(12-20(15)26)27-13-19-16-7-8-21-17(23(16)28-24(18)19)9-10-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3
SMILES (Click to copy)
C1(O)C(C/C=C(\C)/C)=CC2C3OC4=C5C=CC(C)(C)OC5=CC=C4C3COC=2C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLID1ANP0004
PubChem CID
44257437

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 371.50
Topological Polar Surface Area 54.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.27
Molar Refractivity 114.03

Admin

Created at
-
Updated at
-