Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
Jump to:
Id http://purl.obolibrary.org/obo/CHEBI_132639
http://purl.obolibrary.org/obo/CHEBI_132639
Preferred Name

aconine
Definitions
A diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species.
Synonyms
(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol
Jesaconine
20-ethyl-1alpha,6,16beta-trimethoxy-4-(methoxymethyl)aconitane-3alpha,8,13,14alpha,15alpha-pentol
Type http://www.w3.org/2002/07/owl#Class

All Properties

definition

A diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species.
label
aconine
prefLabel
aconine
database_cross_reference
PMID:25115078
PMID:25898581
PMID:26592521
CAS:509-20-6
PMID:24791539
PMID:26896350
PMID:22188409
PMID:18306748
Reaxys:27168934
PMID:26360128
KEGG:C19990
Reaxys:60864
PMID:25744397
PMID:23200901
PMID:27610167
PMID:27183898
PMID:22570930
PMID:22342149
Reaxys:15746808
PMID:27761113
PMID:27357588
See more
See less
notation
CHEBI:132639
in_subset
inchi
InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11-,12-,13+,14-,15+,16+,17-,18?,19-,20+,21+,22+,23-,24+,25-/m1/s1
has_related_synonym
(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol
Jesaconine
id
CHEBI:132639
charge
0
has_obo_namespace
chebi_ontology
formula
C25H41NO9
has parent hydride
subClassOf
inchikey
SQMGCPHFHQGPIF-JIOYIOPFSA-N
mass
499.595
monoisotopicmass
499.27813
type
smiles
[C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)[C@@H]5O)(O)[C@@H]6O)[H])[H])O)[H])CC)(COC)[C@H](O)C[C@@H]3OC)[H]
has role
has_exact_synonym
20-ethyl-1alpha,6,16beta-trimethoxy-4-(methoxymethyl)aconitane-3alpha,8,13,14alpha,15alpha-pentol
treeView
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display