4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138)

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ChEBI Name	4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl

ChEBI ID	CHEBI:193138

Definition	A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 4, 4', and 5 and a methoxy groups at positions 3 and 3'. It is isolated from Dendrobium ellipsophyllum and sensitizes lung cancer cells to anoikis.

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

Submitter	Stan Laulederkind

Supplier Information

Download	Molfile XML SDF

Formula

C16H18O5

Net Charge

Average Mass

290.315

Monoisotopic Mass

290.11542

InChI

InChI=1S/C16H18O5/c1-20-14-8-10(5-6-12(14)17)3-4-11-7-13(18)16(19)15(9-11)21-2/h5-9,17-19H,3-4H2,1-2H3

InChIKey

DAQVNMKZMKBKOF-UHFFFAOYSA-N

SMILES

COC1=CC(CCC2=CC(OC)=C(O)C(O)=C2)=CC=C1O

Metabolite of Species	Details
Dendrobium ellipsophyllum (NCBI:txid179353)	Found in whole plant (BTO:0001461). See: PubMed
Dendrobium secundum (NCBI:txid37622)	Found in aerial part (BTO:0001658). See: PubMed
Dendrobium pachyglossum (NCBI:txid906810)	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.

Application(s):	antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood). antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has parent hydride 1,2-dihydrostilbene (CHEBI:34047) 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has role antilipemic drug (CHEBI:35679) 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has role antineoplastic agent (CHEBI:35610) 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) has role plant metabolite (CHEBI:76924) 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) is a catechols (CHEBI:33566) 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) is a diphenylethane (CHEBI:51571) 4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl (CHEBI:193138) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxybenzene-1,2-diol

Synonyms	Sources
3',5-dimethoxybibenzyl-3,4,4'-triol	ChEBI
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl	SUBMITTER
TDB	SUBMITTER

Last Modified

26 September 2023