Structure Database (LMSD)
Common Name
Adipostatin B
Systematic Name
5-(13-methyl)tetradecylbenzene-1,3-diol
Synonyms
- 5-n-(13-methyl)tetradecylresorcinol
3D model of Adipostatin B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AYZBMIJCGJIGNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O2/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(22)17-21(23)16-19/h15-18,22-23H,3-14H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCC(C)C)C=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Streptomyces sp.
(#1931)
Actinomycetia
(#1760)
Adipostatins A-D from Streptomyces sp. 4875 inhibiting Brugia malayi asparaginyl-tRNA synthetase and killing adult Brugia malayi parasites.,
J Antibiot (Tokyo), 2015
J Antibiot (Tokyo), 2015
Pubmed ID:
25735843
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
358.26
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
6.59
Molar Refractivity
99.10
Admin
Created at
28th Oct 2020
Updated at
28th Oct 2020