Structure Database (LMSD)

HO OH
Common Name
Adipostatin A
Systematic Name
5-pentadecylbenzene-1,3-diol
Synonyms
  • 5-n-pentadecylresorcinol
  • cardol
  • 5-pentadecylresorcinol
LM ID
LMPK15030012
Formula
C21H36O2
Exact Mass
Calculate m/z
320.27153
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
KVVSCMOUFCNCGX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCC)C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anacardium occidentale (#171929)
Magnoliopsida (#3398)
Antibacterial agents from the cashew Anacardium occidentale (Anacardiaceae) nut shell oil,
J. Agric. Food Chem., 1991
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
Pubmed ID: 25735843

Other Databases

Wikipedia
Adipostatin_A
KEGG ID
C10809
HMDB ID
HMDB0031009
CHEBI ID
2120
PubChem CID
76617
Cayman ID
22163

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 1
Rotatable Bonds 14
Van der Waals Molecular Volume 358.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.73
Molar Refractivity 99.17

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Created at
-
Updated at
2nd Aug 2021