albafuran A (CHEBI:2543)

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ChEBI Name	albafuran A

ChEBI ID	CHEBI:2543

Definition	A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 6 and a 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl group at position 2.

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

Supplier Information

Download	Molfile XML SDF

Formula

C24H26O4

Net Charge

Average Mass

378.46080

Monoisotopic Mass

378.18311

InChI

InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+

InChIKey

KGOOVUKZICPAIZ-FRKPEAEDSA-N

SMILES

CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1

Metabolite of Species	Details
Centella asiatica (NCBI:txid48106)	See: MetaboLights Study

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.

ChEBI Ontology
Outgoing	albafuran A (CHEBI:2543) has role plant metabolite (CHEBI:76924) albafuran A (CHEBI:2543) is a 1-benzofurans (CHEBI:38830) albafuran A (CHEBI:2543) is a polyphenol (CHEBI:26195)

IUPAC Name

4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol

Last Modified

06 March 2015