Structure Database (LMSD)

Common Name
Climacostol
Systematic Name
(Z)-5-(non-2-en-1-yl)benzene-1,3-diol
Synonyms
  • 5-((Z)-non-2-en-1-yl)resorcinol
LM ID
LMPK15030016
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Climacostomum virens (#49980)
Heterotrichea (#194287)
Climacostol, a defense toxin of the heterotrich ciliate Climacostomum virens against predators,
Tetrahedron Letts, 1999

String Representations

InChiKey (Click to copy)
VKWFGJNPZKSIEL-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7-
SMILES (Click to copy)
C1(O)C=C(C/C=C\CCCCCC)C=C(O)C=1

Other Databases

PubChem CID
10704873

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 1
Rotatable Bonds 7
Van der Waals Molecular Volume 251.82
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.17
Molar Refractivity 71.37

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Created at
-
Updated at
1st Jun 2020