Structure Database (LMSD)
Common Name
6-Methoxykaempferol 3,7-dirhamnoside
Systematic Name
Synonyms
3D model of 6-Methoxykaempferol 3,7-dirhamnoside
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)
FJHPUUFNRDPJAD-ZVSREZIMSA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-9-16(30)20(34)22(36)27(39-9)42-14-8-13-15(18(32)25(14)38-3)19(33)26(24(41-13)11-4-6-12(29)7-5-11)43-28-23(37)21(35)17(31)10(2)40-28/h4-10,16-17,20-23,27-32,34-37H,1-3H3/t9-,10-,16-,17-,20+,21+,22+,23+,27-,28-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
509.19
Topological Polar Surface Area
242.34
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
15
logP
3.06
Molar Refractivity
149.00
Admin
Created at
-
Updated at
1st Dec 2021