Structure Database (LMSD)
Common Name
Nobiletin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Nobiletin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
MRIAQLRQZPPODS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
351.28
Topological Polar Surface Area
85.59
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
logP
4.41
Molar Refractivity
107.34
Admin
Created at
-
Updated at
-