capsidiol 3-acetate (CHEBI:183320)

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ChEBI Name	capsidiol 3-acetate

ChEBI ID	CHEBI:183320

Definition	An acetate ester resulting from the formal condensation of the hydroxy group at position 3 of capsidiol with acetic acid. It is a phytoalexin produced by Nicotiana benthamiana against potato virus X.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H26O3

Net Charge

Average Mass

278.392

Monoisotopic Mass

278.18819

InChI

InChI=1S/C17H26O3/c1-10(2)13-6-7-14-15(19)8-16(20-12(4)18)11(3)17(14,5)9-13/h7,11,13,15-16,19H,1,6,8-9H2,2-5H3/t11-,13-,15-,16-,17-/m1/s1

InChIKey

SLKXYDPIYYJVRG-MNGYRCLDSA-N

SMILES

C[C@@H]1[C@@H](C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C)OC(C)=O

Metabolite of Species	Details
Hydrocotyle ramiflora (NCBI:txid1138480)	See: PubMed
Nicotiana benthamiana (NCBI:txid4100)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. phytoalexin A toxin made by a plant that acts against an organism attacking it. (via terpenoid phytoalexin )

ChEBI Ontology
Outgoing	capsidiol 3-acetate (CHEBI:183320) has functional parent capsidiol (CHEBI:28283) capsidiol 3-acetate (CHEBI:183320) has role plant metabolite (CHEBI:76924) capsidiol 3-acetate (CHEBI:183320) is a acetate ester (CHEBI:47622) capsidiol 3-acetate (CHEBI:183320) is a eremophilane sesquiterpenoid (CHEBI:36753) capsidiol 3-acetate (CHEBI:183320) is a octahydronaphthalenes (CHEBI:138397) capsidiol 3-acetate (CHEBI:183320) is a sesquiterpene phytoalexin (CHEBI:142279)

IUPAC Name

(1S,2R,4R,7R,8aR)-4-hydroxy-1,8a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl acetate

Last Modified

05 November 2021