Structure Database (LMSD)

Common Name
Longichalasin A
Systematic Name
Synonyms
LM ID
LMPK11000004
Status
Active
Exact Mass
Calculate m/z
431.246044
Formula


Download as...
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

String Representations

InChiKey (Click to copy)
KQJMIGIIKJNGAI-WSLQEYCOSA-N
InChi (Click to copy)
InChI=1S/C28H33NO3/c1-14-10-15(2)19-13-22(30)28-24(20(29-27(28)31)12-18-8-6-5-7-9-18)16(3)17(4)26-25(28)23(19)21(11-14)32-26/h5-10,14,16,19-21,23-26H,4,11-13H2,1-3H3,(H,29,31)/t14-,16-,19+,20+,21-,23?,24+,25+,26-,28-/m1/s1
SMILES (Click to copy)
[C@@H]1(C)C(=C)[C@H]2O[C@]3([H])C[C@H](C)C=C(C)[C@]4([H])CC(=O)[C@]5(C(=O)N[C@@H](CC6C=CC=CC=6)[C@]15[H])[C@@]2([H])C43

References

Reference
Bioactive Metabolites from the Deep-Sea-Derived Fungus Diaporthe longicolla FS429
Mar. Drugs. 2020
DOI: 10.3390/md18080381
PMID: 32717916

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Diaporthe longicolla (#54899)
Sordariomycetes (#147550)
Bioactive Metabolites from the Deep-Sea-Derived Fungus Diaporthe longicolla FS429.,
Mar Drugs, 2020
Pubmed ID: 32717916

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 6
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 426.79
Topological Polar Surface Area 57.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.97
Molar Refractivity 124.13

Admin

Created at
28th Jul 2020
Updated at
28th Jul 2020