Structure Database (LMSD)

Common Name
Jambone C
Systematic Name
Synonyms
LM ID
LMPK13070040
Status
Active
Exact Mass
Calculate m/z
388.26136
Formula
C24H36O4
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)
UCOBYSXJAQLYQH-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-22(27)18-20(25)19-23(24)28/h6-7,9-10,18-19,25,27-28H,2-5,8,11-17H2,1H3/b7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCCCC)(=O)C1=C(O)C=C(O)C=C1O

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
132555863

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 419.82
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.80
Molar Refractivity 115.12

Admin

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