Structure Database (LMSD)

O HO O O
Common Name
R-Chinensen F
Systematic Name
Ethyl 2''-(5-hydroxy-3'R-methyl-3'-geranylgeranyl-2H-chromen-1-yl)acetate
Synonyms
LM ID
LMPR02020090
Formula
C30H42O4
Exact Mass
Calculate m/z
466.30831
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin E [PR0202]

String Representations

InChiKey (Click to copy)
FKHKMZDKSNSFJH-NCTDYWOUSA-N
InChi (Click to copy)
InChI=1S/C30H42O4/c1-7-33-28(32)21-26-20-27(31)19-25-16-18-30(6,34-29(25)26)17-10-15-24(5)14-9-13-23(4)12-8-11-22(2)3/h11,13,15-16,18-20,31H,7-10,12,14,17,21H2,1-6H3/b23-13+,24-15+/t30-/m1/s1
SMILES (Click to copy)
C1(CC(=O)OCC)=CC(O)=CC2C=C[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OC1=2

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhus chinensis (#289753)
Magnoliopsida (#3398)
Nine geranylgeranylated derivatives isolated from the roots of Rhus chinensis Mill.,
Phytochemistry, 2023
Pubmed ID: 36379319

Other Databases

PubChem CID
171116485

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 2
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 505.98
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 8.43
Molar Refractivity 142.16

Admin

Created at
21st Dec 2022
Updated at
15th May 2023