griffithane C (CHEBI:69702)

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ChEBI Name	griffithane C

ChEBI ID	CHEBI:69702

Definition	A member of the class of catechols that is benzene-1,2-diol substituted by a methoxy group at position 5 and a 3-(3,4-dimethoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O5

Net Charge

Average Mass

318.36430

Monoisotopic Mass

318.14672

InChI

InChI=1S/C18H22O5/c1-21-16-8-7-12(9-18(16)23-3)5-4-6-13-10-14(19)15(20)11-17(13)22-2/h7-11,19-20H,4-6H2,1-3H3

InChIKey

KKEWRDFFOCYCGG-UHFFFAOYSA-N

SMILES

COc1ccc(CCCc2cc(O)c(O)cc2OC)cc1OC

Metabolite of Species	Details
Combretum griffithii (IPNI:170132-1)	Found in stem (BTO:0001300). Methanol extract of air-dried stems. 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.

ChEBI Ontology
Outgoing	griffithane C (CHEBI:69702) has role plant metabolite (CHEBI:76924) griffithane C (CHEBI:69702) is a catechols (CHEBI:33566) griffithane C (CHEBI:69702) is a dimethoxybenzene (CHEBI:51681)

IUPAC Name

4-[3-(3,4-dimethoxyphenyl)propyl]-5-methoxybenzene-1,2-diol

Synonym	Source
1-(4,5-dihydroxy-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)propane	ChEBI

Registry Number	Type	Source
21975541	Reaxys Registry Number	Reaxys

Citation	Type	Source
21919533	PubMed citation	Europe PMC

Last Modified

09 January 2014