CHEBI:132904 - bullatantriol

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ChEBI Name bullatantriol
ChEBI ID CHEBI:132904
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C15H28O3
Net Charge 0
Average Mass 256.382
Monoisotopic Mass 256.20384
InChI InChI=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
InChIKey JQHTXZNYHSCIFE-FPVZYODXSA-N
SMILES [C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(O)(C)C)[H])(O)C)O)C
Metabolite of Species Details
Annona (NCBI:txid13336) Found in leaf (BTO:0000713). Isolated from leaves of Annona bullata See: Phytochemistry, 1985, 24(11), 2724
Chimonanthus praecox (NCBI:txid13419) Found in fruit (BTO:0000486). See: Phytochem Lett., 2011, 4(3), 271-274
Chimonanthus praecox (NCBI:txid13419) Found in leaf (BTO:0000713). See: Phytochem Lett., 2011, 4(3), 271-274
Homalomena aromatica (NCBI:txid1804071) Found in root (BTO:0001188). See: PubMed
Acorus calamus (NCBI:txid4465) See: PubMed
Homalomena occulta (NCBI:txid714477) Found in rhizome (BTO:0001181). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
(+)-bullatantriol ChEBI
Registry Number Type Source
5808002 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1368861 PubMed citation Europe PMC
17511005 PubMed citation Europe PMC
18649899 PubMed citation Europe PMC
23373216 PubMed citation Europe PMC
Last Modified
15 August 2016