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CHEBI:65537 - (R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one

ChEBI IDCHEBI:65537
ChEBI Name(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one
Stars
ASCII Name(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one
DefinitionAn isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum.
Last Modified3 September 2012
DownloadsMolfile
FormulaC18H24O4
Net Charge0
Average Mass304.386
Monoisotopic Mass304.16746
SMILESC/C=C/CC[C@@H]1Cc2cc(O)c(CCCC)c(O)c2C(=O)O1
InChIInChI=1S/C18H24O4/c1-3-5-7-8-13-10-12-11-15(19)14(9-6-4-2)17(20)16(12)18(21)22-13/h3,5,11,13,19-20H,4,6-10H2,1-2H3/b5-3+/t13-/m1/s1
InChIKeyRNIKQZXKWIZFHL-MASHWEEQSA-N
Species of MetaboliteComponentSourceComments
Geotrichum (ncbitaxon:43987) - PubMed (12762815) Endophytic fungus of Crassocephalum crepidioides
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.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Applications:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) has functional parent 3,4-dihydroisocoumarin (CHEBI:23745)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) has role antifungal agent (CHEBI:35718)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) has role antimalarial (CHEBI:38068)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) has role antitubercular agent (CHEBI:33231)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) has role metabolite (CHEBI:25212)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) is a isochromanes (CHEBI:38762)
(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one (CHEBI:65537) is a phenols (CHEBI:33853)
IUPAC Name 
(3R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydro-1H-isochromen-1-one
Synonym  Source
7-butyl-6,8-dihydroxy-3(R)-pent-11-enylisochroman-1-oneChEBI
Registry NumbersSources
Reaxys:9582012Reaxys
Citations