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

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

ChEBI ID	CHEBI:65537

ChEBI ASCII Name	(R)-7-butyl-6,8-dihydroxy-3-[(3E)-pent-3-en-1-yl]-3,4-dihydroisochromen-1-one

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C18H24O4

Net Charge

Average Mass

304.38080

Monoisotopic Mass

304.16746

InChI

InChI=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

InChIKey

RNIKQZXKWIZFHL-MASHWEEQSA-N

SMILES

CCCCc1c(O)cc2C[C@@H](CC\C=C\C)OC(=O)c2c1O

Metabolite of Species	Details
Geotrichum (NCBI:txid43987)	Endophytic fungus of Crassocephalum crepidioides See: PubMed

Roles Classification
Biological Role(s):	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.

Application(s):	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	(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-one	ChEBI

Registry Number	Type	Source
9582012	Reaxys Registry Number	Reaxys

Citation	Type	Source
12762815	PubMed citation	Europe PMC

Last Modified

03 September 2012