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CHEBI:66078 - integracin C

Default Structure
ChEBI IDCHEBI:66078
ChEBI Nameintegracin C
Stars
DefinitionA benzoate ester obtained by the formal condensation of the hydroxy group of 5-(8-hydroxyundecyl)benzene-1,3-diol with 4,6-dihydroxy benzoic acid which is also substituted by a undec-7-en-1-yl group at position 6. It is isolated from Cytonaema sp. and has anti-HIV-1 activity.
Last Modified2 October 2012
DownloadsMolfile
FormulaC35H52O6
Net Charge0
Average Mass568.795
Monoisotopic Mass568.37639
SMILESCCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C35H52O6/c1-3-5-6-7-8-9-10-13-16-20-28-24-31(38)26-33(39)34(28)35(40)41-32(18-4-2)21-17-14-11-12-15-19-27-22-29(36)25-30(37)23-27/h6-7,22-26,32,36-39H,3-5,8-21H2,1-2H3/b7-6+
InChIKeyLYMWNVVWPGMTHS-VOTSOKGWSA-N
Species of MetaboliteComponentSourceComments
Cytonaema (mycobank:7899)
- DOI (10.1016/S0040-4039(02)00083-7) Strain: ATCC 74413
- DOI (10.1016/S0040-4039(02)00083-7) Strain: MF 6253
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
HIV-1 integrase inhibitor  An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
ChEBI Ontology
Outgoing Relation(s)
integracin C (CHEBI:66078) has role HIV-1 integrase inhibitor (CHEBI:67268)
integracin C (CHEBI:66078) has role metabolite (CHEBI:25212)
integracin C (CHEBI:66078) is a benzoate ester (CHEBI:36054)
integracin C (CHEBI:66078) is a resorcinols (CHEBI:33572)
IUPAC Name 
11-(3,5-dihydroxyphenyl)undecan-4-yl 2,4-dihydroxy-6-[(7E)-undec-7-en-1-yl]benzoate
Registry NumbersSources
Reaxys:9106460Reaxys