Structure Database (LMSD)
Common Name
Nevadensin
Systematic Name
2-(4-Methoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Nevadensin
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)
KRFBMPVGAYGGJE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1OC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Chorisiva nevadensis
(#2364177)
Magnoliopsida
(#3398)
Constituents of Iva Species. V. Isolation, Structure, and Synthesis of Nevadensin, a New Flavone from Iva Nevadensis M. E. Jones and Iva Acerosa (Nutt.) Jackson,
J Org Chem, 1966
J Org Chem, 1966
DOI:
10.1021/jo01348a031
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
290.59
Topological Polar Surface Area
98.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
3.80
Molar Refractivity
91.01
Admin
Created at
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Updated at
19th Jun 2024