Structure Database (LMSD)
Common Name
Adipostatin I
Systematic Name
5-(16-methyl)heptdecylbenzene-1,3-diol
Synonyms
- 5-n-(16-methyl)heptadecylresorcinol
3D model of Adipostatin I
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)
IHCHQNXMAUHXID-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H42O2/c1-21(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22-18-23(25)20-24(26)19-22/h18-21,25-26H,3-17H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCC(C)C)C=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Streptomyces sp. 20733-1
(#1774111)
Actinomycetia
(#1760)
Adipostatins E-J, New Potent Antimicrobials Identified as Inhibitors of Coenzyme-A Biosynthesis.,
Tetrahedron Letts, 2020
Tetrahedron Letts, 2020
Pubmed ID:
32863451
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
1
Rotatable Bonds
16
Van der Waals Molecular Volume
410.16
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.76
Molar Refractivity
112.95
Admin
Created at
28th Oct 2020
Updated at
28th Oct 2020