Structure Database (LMSD)
Common Name
Louisfieserone B
Systematic Name
Synonyms
3D model of Louisfieserone B
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)
NZANVYUIDHOMEY-IAVLKJBYSA-N
InChi (Click to copy)
InChI=1S/C22H24O5/c1-19(2)15-11-26-21(4)18(24)20(19,3)17-16(22(15,21)25)13(23)10-14(27-17)12-8-6-5-7-9-12/h5-9,14-15,25H,10-11H2,1-4H3/t14-,15?,20-,21+,22-/m1/s1
SMILES (Click to copy)
C1(=O)[C@@]2(C(C)(C)C3[C@@](O)(C4C(=O)C[C@H](C5C=CC=CC=5)OC=42)[C@]1(OC3)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
6
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
340.77
Topological Polar Surface Area
76.97
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.59
Molar Refractivity
98.12
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Updated at
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