Structure Database (LMSD)
Common Name
Isoorientin 7,3',4'-trimethyl ether
Systematic Name
3',4',7-Tri-O-methylisoorientin
Synonyms
- 2-(3,4-Dimethoxyphenyl)-6-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
3D model of Isoorientin 7,3',4'-trimethyl ether
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)
BEOVASOPYVJANG-VYJJCVKJSA-N
InChi (Click to copy)
InChI=1S/C24H26O11/c1-31-12-5-4-10(6-14(12)32-2)13-7-11(26)18-16(34-13)8-15(33-3)19(21(18)28)24-23(30)22(29)20(27)17(9-25)35-24/h4-8,17,20,22-25,27-30H,9H2,1-3H3/t17-,20-,22+,23-,24+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
4
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
417.19
Topological Polar Surface Area
170.35
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
11
logP
3.04
Molar Refractivity
124.61
Admin
Created at
-
Updated at
3rd Nov 2021