Structure Database (LMSD)

OH O O HO HO HO O O O O
Common Name
Luteolin 7,3'-dimethyl ether 5-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111049
Formula
C23H24O10
Exact Mass
Calculate m/z
460.13695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
LMRIAWFGTGLXRL-CLVZUSSCSA-N
InChi (Click to copy)
InChI=1S/C23H24O10/c1-10-20(26)21(27)22(28)23(31-10)33-18-8-12(29-2)7-17-19(18)14(25)9-15(32-17)11-4-5-13(24)16(6-11)30-3/h4-10,20-24,26-28H,1-3H3/t10-,20-,21+,22+,23-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL3FCDGS0001
PubChem CID
44258383

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 391.10
Topological Polar Surface Area 150.12
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 3.72
Molar Refractivity 118.34

Admin

Created at
-
Updated at
21st Dec 2021