LIPID MAPS

Structure Database (LMSD)

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Common Name

Cuminone G

Systematic Name

Synonyms

LM ID

LMPK13070029

Formula

C₂₅H₃₈O₄

Exact Mass

Calculate m/z

402.27701

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

YHAWQXOYNXPJPY-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-22(27)24-23(28)18-21(26)19(2)25(24)29-20/h17-18,26,28H,3-16H2,1-2H3

SMILES (Click to copy)

C1(C)=C(O)C=C(O)C2C(=O)C=C(CCCCCCCCCCCCCCC)OC1=2

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Syzygium cumini (#260142)

Magnoliopsida (#3398)

Phloroglucinol-derived lipids from the leaves of Syzygium cumini and their neuroprotective activities.,
Fitoterapia, 2021

Pubmed ID: 34147547

Other Databases

PubChem CID

166627812

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 2

Aromatic Rings 2

Rotatable Bonds 14

Van der Waals Molecular Volume 416.50

Topological Polar Surface Area 70.67

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 8.05

Molar Refractivity 120.06

Admin

Created at

7th Sep 2021

Updated at