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CHEBI:66549 - lanigerol

Default Structure
ChEBI IDCHEBI:66549
ChEBI Namelanigerol
Stars
DefinitionA diterpenoid of icetexane type isolated from roots of Salvia lanigera and has been shown to exhibit antibacterial activity.
Last Modified19 March 2013
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CCc3cc(C(C)C)c(O)cc3C[C@@]1(O)CCCC2(C)C
InChIInChI=1S/C20H30O2/c1-13(2)16-10-14-6-7-18-19(3,4)8-5-9-20(18,22)12-15(14)11-17(16)21/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18-,20-/m0/s1
InChIKeyUZNOTFOFROXACM-ICSRJNTNSA-N
Species of MetaboliteComponentSourceComments
Salvia lanigera (ITIS:832888) root (BTO:0001188) PubMed (8824952)
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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
lanigerol (CHEBI:66549) has role antibacterial agent (CHEBI:33282)
lanigerol (CHEBI:66549) has role metabolite (CHEBI:25212)
lanigerol (CHEBI:66549) is a carbotricyclic compound (CHEBI:38032)
lanigerol (CHEBI:66549) is a diterpenoid (CHEBI:23849)
lanigerol (CHEBI:66549) is a phenols (CHEBI:33853)
lanigerol (CHEBI:66549) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(4aS,11aS)-1,1-dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4aH-dibenzo[a,d][7]annulene-4a,7-diol
Synonym  Source
10,12-dihydroxy-9(10→20)-abeo 8,11,13-abietatrieneChEBI
Registry NumbersSources
Reaxys:6062537Reaxys
Citations