Structure Database (LMSD)

Common Name
3-n-pentadecyl-4'-methoxyluteolin
Systematic Name
Synonyms
LM ID
LMPK12113406
Formula
C30H40O6
Exact Mass
Calculate m/z
496.28249
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
Patrinia villosa (#183944)
Magnoliopsida (#3398)
A novel flavonoid with antioxidant activity from Patrinia villosa (Thunb.) Juss.,
Nat Prod Res, 2021
Pubmed ID: 34085576

String Representations

InChiKey (Click to copy)
RQEWYYLVBUSNBH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-29(35)28-26(34)19-22(31)20-27(28)36-30(23)21-16-17-24(32)25(33)18-21/h16-20,31-34H,2-15H2,1H3
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC(O)=C(O)C=C3)=C(CCCCCCCCCCCCCCC)C(=O)C2=C(O)C=1

Other Databases

PubChem CID
171119027

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 3
Rotatable Bonds 15
Van der Waals Molecular Volume 489.40
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 8.82
Molar Refractivity 144.09

Admin

Created at
10th Jun 2021
Updated at
20th Oct 2021