Structure Database (LMSD)
Common Name
1-O-Methylglycyrol
Systematic Name
9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan
Synonyms
- 5-O-Methylglycyrol
3D model of 1-O-Methylglycyrol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
ACDSUMGMZHXCRO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O6/c1-11(2)5-7-14-15(25-3)10-17-19(20(14)26-4)21-18(22(24)28-17)13-8-6-12(23)9-16(13)27-21/h5-6,8-10,23H,7H2,1-4H3
SMILES (Click to copy)
C1(OC)C(C/C=C(\C)/C)=C(OC)C2C3OC4=CC(O)=CC=C4C=3C(=O)OC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
4
Aromatic Rings
4
Rotatable Bonds
4
Van der Waals Molecular Volume
325.10
Topological Polar Surface Area
82.04
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
5.82
Molar Refractivity
107.77
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