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CHEBI:27774 - lubimin

ChEBI IDCHEBI:27774
ChEBI Namelubimin
Stars
DefinitionA vetispirane sesquiterpenoid that consists of (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane bearing a formyl substituent at position 6.
Secondary ChEBI IDsCHEBI:6551, CHEBI:25077
Last Modified9 March 2015
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2C=O
InChIInChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyCEVNHRPKRNTGKO-ZSAUSMIDSA-N
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
lubimin (CHEBI:27774) has role antifungal agent (CHEBI:35718)
lubimin (CHEBI:27774) has role phytoalexin (CHEBI:26115)
lubimin (CHEBI:27774) is a vetispirane sesquiterpenoid (CHEBI:36755)
Incoming Relation(s)
3-hydroxylubimin (CHEBI:85160) has functional parent lubimin (CHEBI:27774)
IUPAC Name 
(2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde
Synonyms  Source
LubiminKEGG COMPOUND
(2R,5S,6S,8S,10R)-8-hydroxy-2-isopropenyl-10-methylspiro[4.5]decane-6-carbaldehydeIUPAC
Manual XrefsDatabases
C09700KEGG COMPOUND
C00003163KNApSAcK
Registry NumbersSources
Reaxys:2454654Reaxys
CAS:35951-50-9KEGG COMPOUND
CAS:35951-50-9ChemIDplus