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CHEBI:132904 - bullatantriol

ChEBI IDCHEBI:132904
ChEBI Namebullatantriol
Stars
DefinitionA sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species.
Last Modified15 August 2016
Submitterliuqingping
DownloadsMolfile
FormulaC15H28O3
Net Charge0
Average Mass256.386
Monoisotopic Mass256.20384
SMILES[H][C@@]12[C@@H](CC(C)(C)O)CC[C@@]1(C)[C@H](O)CC[C@]2(C)O
InChIInChI=1S/C15H28O3/c1-13(2,17)9-10-5-7-14(3)11(16)6-8-15(4,18)12(10)14/h10-12,16-18H,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m1/s1
InChIKeyJQHTXZNYHSCIFE-FPVZYODXSA-N
Species of MetaboliteComponentSourceComments
Annona (ncbitaxon:13336) leaf (BTO:0000713) Article (Phytochemistry, 1985, 24(11), 2724) Isolated from leaves of Annona bullata
Acorus calamus (ncbitaxon:4465) - PubMed (23373216)
Homalomena occulta (ncbitaxon:714477) rhizome (BTO:0001181) PubMed (22573367)
Homalomena aromatica (ncbitaxon:1804071) root (BTO:0001188) PubMed (1368861)
Chimonanthus praecox (ncbitaxon:13419)
fruit (BTO:0000486) Article (Phytochem Lett., 2011, 4(3), 271-274)
leaf (BTO:0000713) Article (Phytochem Lett., 2011, 4(3), 271-274)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
bullatantriol (CHEBI:132904) has functional parent oppsit-4(15)-ene-1beta,11-diol (CHEBI:69848)
bullatantriol (CHEBI:132904) has role plant metabolite (CHEBI:76924)
bullatantriol (CHEBI:132904) is a carbobicyclic compound (CHEBI:36785)
bullatantriol (CHEBI:132904) is a secondary alcohol (CHEBI:35681)
bullatantriol (CHEBI:132904) is a sesquiterpenoid (CHEBI:26658)
bullatantriol (CHEBI:132904) is a tertiary alcohol (CHEBI:26878)
bullatantriol (CHEBI:132904) is a triol (CHEBI:27136)
IUPAC Name 
(1R,3aR,4R,7S,7aR)-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol
Synonym  Source
(+)-bullatantriolChEBI
Registry NumbersSources
Reaxys:5808002Reaxys
Citations