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CHEBI:66531 - suberosol

ChEBI IDCHEBI:66531
ChEBI Namesuberosol
Stars
DefinitionA tetracyclic triterpenoid that is 24-methylidenelanosta-7,9(11)-diene substituted by hydroxy groups at positions 3 and 15 (3β,15α stereoisomer). Isolated from Polyalthia suberosa, it exhibits anti-HIV activity.
Last Modified9 July 2013
DownloadsMolfile
FormulaC31H50O2
Net Charge0
Average Mass454.739
Monoisotopic Mass454.38108
SMILES[H][C@@]12CC=C3C(=CC[C@]4(C)[C@@]([H])([C@H](C)CCC(=C)C(C)C)C[C@H](O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C31H50O2/c1-19(2)20(3)10-11-21(4)24-18-27(33)31(9)23-12-13-25-28(5,6)26(32)15-16-29(25,7)22(23)14-17-30(24,31)8/h12,14,19,21,24-27,32-33H,3,10-11,13,15-18H2,1-2,4-9H3/t21-,24-,25+,26+,27+,29-,30-,31-/m1/s1
InChIKeyMJRURUDEESYVHI-UJZFCZBUSA-N
Species of MetaboliteComponentSourceComments
Polyalthia suberosa (ncbitaxon:105757)
stem (BTO:0001300) PubMed (8377018)
leaf (BTO:0000713) PubMed (8377018)
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.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
ChEBI Ontology
Outgoing Relation(s)
suberosol (CHEBI:66531) has parent hydride lanostane (CHEBI:20265)
suberosol (CHEBI:66531) has role anti-HIV agent (CHEBI:64946)
suberosol (CHEBI:66531) has role metabolite (CHEBI:25212)
suberosol (CHEBI:66531) is a diol (CHEBI:23824)
suberosol (CHEBI:66531) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3β,15α)-24-methylidenelanosta-7,9(11)-diene-3,15-diol
Citations