Structure Database (LMSD)
Common Name
Euchrenone a2
Systematic Name
Synonyms
3D model of Euchrenone a2
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)
HLKHOVQEAJNZDM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-14(2)5-6-15-11-16(7-8-18(15)26)21-12-19(27)23-20(28)13-22-17(24(23)29-21)9-10-25(3,4)30-22/h5,7-11,13,21,26,28H,6,12H2,1-4H3
SMILES (Click to copy)
C1C2OC(C)(C)C=CC=2C2OC(C3C=C(C/C=C(\C)/C)C(O)=CC=3)CC(=O)C=2C=1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
390.01
Topological Polar Surface Area
80.13
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
5.78
Molar Refractivity
115.92
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Updated at
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