CHEBI:27774 - lubimin

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ChEBI Name lubimin
ChEBI ID CHEBI:27774
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25077, CHEBI:6551
Supplier Information
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Formulae C15H24O2
C15H24O2
Net Charge 0
Average Mass 236.34990
Monoisotopic Mass 236.17763
InChI InChI=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
InChIKey CEVNHRPKRNTGKO-ZSAUSMIDSA-N
SMILES C[C@@H]1C[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C
Roles Classification
Biological Role(s): phytoalexin
A toxin made by a plant that acts against an organism attacking it.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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ChEBI Ontology
Outgoing 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 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 Sources
(2R,5S,6S,8S,10R)-8-hydroxy-2-isopropenyl-10-methylspiro[4.5]decane-6-carbaldehyde IUPAC
Lubimin KEGG COMPOUND
Manual Xrefs Databases
C00003163 KNApSAcK
C09700 KEGG COMPOUND
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Registry Numbers Types Sources
2454654 Reaxys Registry Number Reaxys
35951-50-9 CAS Registry Number KEGG COMPOUND
35951-50-9 CAS Registry Number ChemIDplus
Last Modified
09 March 2015