LIPID MAPS

Structure Database (LMSD)

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Common Name

Chinensen E

Systematic Name

ethyl ''-(2,5-dihydroxy-3-geranylgeranyl phenyl)acetate

Synonyms

LM ID

LMPR0104550004

Formula

C₃₀H₄₄O₄

Exact Mass

Calculate m/z

468.32396

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MGVSDMDTFSABJY-HBKYZHKXSA-N

InChi (Click to copy)

InChI=1S/C30H44O4/c1-7-34-29(32)21-27-20-28(31)19-26(30(27)33)18-17-25(6)16-10-15-24(5)14-9-13-23(4)12-8-11-22(2)3/h11,13,15,17,19-20,31,33H,7-10,12,14,16,18,21H2,1-6H3/b23-13+,24-15+,25-17+

SMILES (Click to copy)

C(/C(/C)=C/CC1=C(O)C(CC(=O)OCC)=CC(O)=C1)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

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

171116479

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 518.34

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 8.18

Molar Refractivity 142.71

Admin

Created at

21st Dec 2022

Updated at