anolignan A (CHEBI:65410)

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ChEBI Name	anolignan A

ChEBI ID	CHEBI:65410

Definition	A lignan that consists of buta-1,3-diene substituted by a 2,4-dihydroxybenzyl group at position 2 and a 1,3-benzodioxol-5-ylmethyl group at position 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H18O4

Net Charge

Average Mass

310.34380

Monoisotopic Mass

310.12051

InChI

InChI=1S/C19H18O4/c1-12(7-14-3-6-18-19(9-14)23-11-22-18)13(2)8-15-4-5-16(20)10-17(15)21/h3-6,9-10,20-21H,1-2,7-8,11H2

InChIKey

HFSAUGRJONZEDN-UHFFFAOYSA-N

SMILES

Oc1ccc(CC(=C)C(=C)Cc2ccc3OCOc3c2)c(O)c1

Metabolite of Species	Details
Anogeissus acuminata (NCBI:txid155018)	Found in stem (BTO:0001300). Ground stem See: PubMed

Roles Classification
Biological Role(s):	HIV-1 reverse transcriptase inhibitor An entity which inhibits the activity of HIV-1 reverse transcriptase. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	anolignan A (CHEBI:65410) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756) anolignan A (CHEBI:65410) has role metabolite (CHEBI:25212) anolignan A (CHEBI:65410) is a benzodioxoles (CHEBI:38298) anolignan A (CHEBI:65410) is a lignan (CHEBI:25036) anolignan A (CHEBI:65410) is a resorcinols (CHEBI:33572)

IUPAC Name

4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidenebut-3-en-1-yl]benzene-1,3-diol

Synonym	Source
2-(2',4'-dihydroxybenzyl)-3-(3'',4''-methylenedioxybenzyl)- 1,3-butadiene	ChemIDplus

Last Modified

07 November 2012