Structure Database (LMSD)
Common Name
Erybraedin B
Systematic Name
(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,10]pterocarpan
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Erybraedin B
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)
XDRMVDDOBVPELW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-14(2)5-6-16-20(26)9-7-18-22(16)27-13-19-15-8-10-21-17(23(15)28-24(18)19)11-12-25(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)C2OCC3C4C=CC5OC(C)(C)C=CC=5C=4OC3C=2C=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
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
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Created at
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Updated at
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