Structure Database (LMSD)
Common Name
Homoferreirin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Homoferreirin
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)
LMLDNMHDNFCNCW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C=C3OC)C(=O)C=2C(O)=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
23
Rings
3
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
278.04
Topological Polar Surface Area
87.29
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
2.76
Molar Refractivity
82.37
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Created at
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Updated at
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