(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid (CHEBI:141292)

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CHEBI:141292 - (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid

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ChEBI ID	CHEBI:141292
ChEBI Name	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid
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ASCII Name	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid
Definition	A monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula.
Last Modified	2 November 2018
Submitter	R. Stephan
Downloads	Molfile

Formula	C10H16O2
Net Charge	0
Average Mass	168.236
Monoisotopic Mass	168.11503
SMILES	CC1=CC[C@H]([C@@H](C)C(=O)O)CC1
InChI	InChI=1S/C10H16O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,8-9H,4-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1
InChIKey	QOGOGJNRMJOCKH-BDAKNGLRSA-N

Species of Metabolite	Component	Source	Comments
Neopestalotiopsis foedans (ncbitaxon:290095)	-	PubMed (27448166)	Obtained from the branch of Bruguiera sexangula

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid (CHEBI:141292) has role antifungal agent (CHEBI:35718)
	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid (CHEBI:141292) has role fungal metabolite (CHEBI:76946)
	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid (CHEBI:141292) is a monocarboxylic acid (CHEBI:25384)
	(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid (CHEBI:141292) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid

Synonyms	Source
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propionic acid	IUPAC
(+)-(4R,8R)-Δ¹-p-menthen-9-carboxylic acid	ChEBI

Registry Numbers	Sources
Reaxys:7014122	Reaxys

Citations