Structure Database (LMSD)

HO O OH OH O O
Common Name
Lonchocarpol D
Systematic Name
Synonyms
LM ID
LMPK12140264
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WHZASJDTVMUREZ-XJDOXCRVSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-10-16-23-17(11-20(31-23)25(3,4)29)22(28)21-18(27)12-19(30-24(16)21)14-6-8-15(26)9-7-14/h5-9,19-20,26,28-29H,10-12H2,1-4H3/t19-,20?/m0/s1
SMILES (Click to copy)
C12CC(C(C)(O)C)OC1=C(C/C=C(\C)/C)C1O[C@H](C3C=CC(O)=CC=3)CC(=O)C=1C=2O

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAANF0002
PubChem CID
44260096

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 401.44
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.96
Molar Refractivity 117.11

Admin

Created at
-
Updated at
-