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CHEBI:66526 - strongylin A

ChEBI IDCHEBI:66526
ChEBI Namestrongylin A
Stars
DefinitionA sesquiterpenoid that is 1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthene substituted by a hydroxy group at position 12, methyl groups at positions 4, 4, 7 and 7a and a methoxy group at position 9 (the 4aS,7S,7aR,13aS stereoisomer). Isolated from Strongylophora hartmani, it exhibits activity against the influenza virus.
Last Modified9 July 2013
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILES[H][C@@]12CC[C@H](C)[C@@]3(C)Cc4c(OC)ccc(O)c4O[C@@]13CCCC2(C)C
InChIInChI=1S/C22H32O3/c1-14-7-10-18-20(2,3)11-6-12-22(18)21(14,4)13-15-17(24-5)9-8-16(23)19(15)25-22/h8-9,14,18,23H,6-7,10-13H2,1-5H3/t14-,18-,21+,22-/m0/s1
InChIKeyAHDRBWCUVQGBTR-DNEUNLEDSA-N
Species of MetaboliteComponentSourceComments
Strongylophora hartmani (WORMS:194087) - PubMed (1791476)
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.
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor  An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor  An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
ChEBI Ontology
Outgoing Relation(s)
strongylin A (CHEBI:66526) has role antineoplastic agent (CHEBI:35610)
strongylin A (CHEBI:66526) has role EC 3.2.1.18 (exo-α-sialidase) inhibitor (CHEBI:52425)
strongylin A (CHEBI:66526) has role metabolite (CHEBI:25212)
strongylin A (CHEBI:66526) is a aromatic ether (CHEBI:35618)
strongylin A (CHEBI:66526) is a organic heterotetracyclic compound (CHEBI:38163)
strongylin A (CHEBI:66526) is a phenols (CHEBI:33853)
strongylin A (CHEBI:66526) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aS,7S,7aR,13aS)-9-methoxy-4,4,7,7a-tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-12-ol
Registry NumbersSources
CAS:136978-48-8ChemIDplus
Citations