lonchocarpenin (CHEBI:6521)

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ChEBI Name	lonchocarpenin

ChEBI ID	CHEBI:6521

Definition	A hydroxycoumarin that is 2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one substituted by a hydroxy group at position 4, a methoxy group at position 5, 4-methoxyphenyl group at position 3 and two methyl groups at position 8 respectively.

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

Supplier Information

Download	Molfile XML SDF

Formula

C27H28O6

Net Charge

Average Mass

448.50760

Monoisotopic Mass

448.18859

InChI

InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3

InChIKey

CCYKXDPVYWRNMH-UHFFFAOYSA-N

SMILES

COc1ccc(cc1)-c1c(O)c2c(OC)c3C=CC(C)(C)Oc3c(CC=C(C)C)c2oc1=O

Metabolite of Species	Details
Millettia richardiana (NCBI:txid62121)	Found in stem (BTO:0001300). 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. antiprotozoal drug Any antimicrobial drug which is used to treat or prevent protozoal infections.

Application(s):	antiprotozoal drug Any antimicrobial drug which is used to treat or prevent protozoal infections.

ChEBI Ontology
Outgoing	lonchocarpenin (CHEBI:6521) has role antiprotozoal drug (CHEBI:35820) lonchocarpenin (CHEBI:6521) has role plant metabolite (CHEBI:76924) lonchocarpenin (CHEBI:6521) is a hydroxycoumarin (CHEBI:37912) lonchocarpenin (CHEBI:6521) is a monomethoxybenzene (CHEBI:25235)

IUPAC Name

4-hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one

Last Modified

24 June 2015