Structure Database (LMSD)
Common Name
Tomentosanol D
Systematic Name
5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone
Synonyms
3D model of Tomentosanol D
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)
BCWBBALYWWRPII-IBYPIGCZSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8,14,18,21-24H,1,7,9H2,2H3/t14?,18-/m0/s1
SMILES (Click to copy)
C1(O)C(CC(C(C)=C)O)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
327.30
Topological Polar Surface Area
109.29
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.28
Molar Refractivity
95.23
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Updated at
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