EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65411 - anolignan B

ChEBI IDCHEBI:65411
ChEBI Nameanolignan B
Stars
DefinitionA lignan that consists of buta-1,3-diene substituted by 4-hydroxybenzyl groups at positions 2 and 3. It is isolated from the ground stems of Anogeissus acuminata and exhibits anti-HIV activity by inhibiting HIV-1 reverse transcriptase enzyme.
Last Modified7 November 2012
DownloadsMolfile
FormulaC18H18O2
Net Charge0
Average Mass266.340
Monoisotopic Mass266.13068
SMILESC=C(Cc1ccc(O)cc1)C(=C)Cc1ccc(O)cc1
InChIInChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2
InChIKeyVVKZAZVVUAFFGF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Anogeissus acuminata (ncbitaxon:155018) stem (BTO:0001300) PubMed (7525878) Ground stem
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
HIV-1 reverse transcriptase inhibitor  An entity which inhibits the activity of HIV-1 reverse transcriptase.
ChEBI Ontology
Outgoing Relation(s)
anolignan B (CHEBI:65411) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
anolignan B (CHEBI:65411) has role metabolite (CHEBI:25212)
anolignan B (CHEBI:65411) is a lignan (CHEBI:25036)
anolignan B (CHEBI:65411) is a phenols (CHEBI:33853)
IUPAC Name 
4-[3-(4-hydroxybenzyl)-2-methylidenebut-3-en-1-yl]phenol
Synonyms  Source
4,4'-(2,3-bis(methylene)-1,4-butanediyl)bisphenolChemIDplus
2,3-bis-(4-hydroxybenzyl)-1,3-butadieneChEBI
Registry NumbersSources
Reaxys:7812590Reaxys
CAS:158081-98-2ChemIDplus
Citations