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ChEBI
> Main
CHEBI:27774 - lubimin
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ChEBI Name
lubimin
ChEBI ID
CHEBI:27774
Definition
A vetispirane sesquiterpenoid that consists of (2
R
,5
S
,6
S
,8
S
,10
R
)-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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Molfile
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.
View more via ChEBI Ontology
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
(2
R
,5
S
,6
S
,8
S
,10
R
)-
8-
hydroxy-
10-
methyl-
2-
(prop-
1-
en-
2-
yl)spiro[4.5]decane-
6-
carbaldehyde
Synonyms
Sources
(2
R
,5
S
,6
S
,8
S
,10
R
)-
8-
hydroxy-
2-
isopropenyl-
10-
methylspiro[4.5]decane-
6-
carbaldehyde
IUPAC
Lubimin
KEGG COMPOUND
Manual Xrefs
Databases
C00003163
KNApSAcK
C09700
KEGG COMPOUND
View more database links
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