Structure Database (LMSD)

HO OH
Common Name
DB-2073
Systematic Name
2-hexyl-5-propylbenzene-1,3-diol
Synonyms
  • 2-n-hexyl-5-n-propylresorcinol
LM ID
LMPK15030002
Formula
C15H24O2
Exact Mass
Calculate m/z
236.17763
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)
VERGPVBZPMTZDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H24O2/c1-3-5-6-7-9-13-14(16)10-12(8-4-2)11-15(13)17/h10-11,16-17H,3-9H2,1-2H3
SMILES (Click to copy)
C1(O)C=C(CCC)C=C(O)C=1CCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudomonas sp. (#306)
Gammaproteobacteria (#1236)
DB-2073, a new alkylresorcinol antibiotic. II. The chemical structure of DB-2073.,
J Antibiot (Tokyo), 1975
Pubmed ID: 1206007

Other Databases

Wikipedia
DB-2073
CHEBI ID
168034
PubChem CID
197183

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 1
Rotatable Bonds 7
Van der Waals Molecular Volume 254.46
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.17
Molar Refractivity 71.61

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Created at
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Updated at
4th Dec 2020