Structure Database (LMSD)

Common Name
Luteolin 7-(2''-glucosyllactate)
Systematic Name
5,7,3',4'-Tetrahydroxyflavone 7-(2''-glucosyllactate)
Synonyms
LM ID
LMPK12110694
Formula
C24H24O13
Exact Mass
Calculate m/z
520.121695
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Marrubium vulgare (#41230)
Magnoliopsida (#3398)
Flavonoid lactates from leaves of Marrubium vulgare,
Phytochemistry, 1989
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
UAMQTTPOILAAME-UIQNMNJWSA-N
InChi (Click to copy)
InChI=1S/C24H24O13/c1-9(34-24-22(32)21(31)20(30)18(8-25)37-24)23(33)35-11-5-14(28)19-15(29)7-16(36-17(19)6-11)10-2-3-12(26)13(27)4-10/h2-7,9,18,20-22,24-28,30-32H,8H2,1H3/t9?,18-,20-,21+,22-,24-/m1/s1
SMILES (Click to copy)
C1(OC(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C)=O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0059
PubChem CID
44258118

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 432.13
Topological Polar Surface Area 218.65
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 13
logP 2.59
Molar Refractivity 126.53

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Created at
-
Updated at
19th Jun 2024