Structure Database (LMSD)

Common Name
Jambone E
Systematic Name
Synonyms
LM ID
LMPK13070037
Status
Active
Exact Mass
Calculate m/z
410.24571
Formula
C26H34O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenylmethanes, acylphloroglucinols and benzophenones [PK1307]

String Representations

InChiKey (Click to copy)
IKWNVUNKYSWMQC-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C26H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-24(29)26-23(28)18-21(27)19-25(26)30-22/h3-4,6-7,9-10,18-20,27-28H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCC/C=C\C/C=C\C/C=C\CC)C1OC2=CC(O)=CC(O)=C2C(=O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Syzygium jambos (#334483)
Magnoliopsida (#3398)
New Phloroglucinol Derivatives from the Fruit Tree Syzygium jambos and Their Cytotoxic and Antioxidant Activities.,
J Agric Food Chem, 2015
Pubmed ID: 26554667

Other Databases

PubChem CID
132555865

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 2
Rotatable Bonds 13
Van der Waals Molecular Volume 425.88
Topological Polar Surface Area 70.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.85
Molar Refractivity 124.27

Admin

Created at
7th Sep 2021
Updated at
7th Sep 2021