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(Q106045518)
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English
Iboxygaine
chemical compound
(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoate
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Statements
instance of
type of chemical entity
0 references
subclass of
iboga alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
326.199428072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S)-1-[(1R,15S,17S,18R)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-17-yl]ethanol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆N₂O₂
0 references
canonical SMILES
OC(C)C1CC2CN3CCC=4C=5C=C(OC)C=CC5NC4C(C2)C31
0 references
isomeric SMILES
COc1ccc2[nH]c3c(c2c1)CC[N@@]1C[C@H]2C[C@@H]([C@H](C)O)[C@H]1[C@H]3C2
0 references
found in taxon
Voacanga africana
1 reference
stated in
Alkaloids with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling
Tabernaemontana citrifolia
1 reference
stated in
Chemotaxonomic study of the genusTabernaemontana (Apocynaceae) based on their indole alkaloid content
Tabernaemontana alternifolia
1 reference
stated in
Chemotaxonomic study of the genusTabernaemontana (Apocynaceae) based on their indole alkaloid content
Tabernaemontana laurifolia
1 reference
stated in
Chemotaxonomic study of the genusTabernaemontana (Apocynaceae) based on their indole alkaloid content
Tabernaemontana hystrix
1 reference
stated in
Chemotaxonomic study of the genusTabernaemontana (Apocynaceae) based on their indole alkaloid content
Tabernaemontana orientalis
1 reference
stated in
Chemotaxonomic study of the genusTabernaemontana (Apocynaceae) based on their indole alkaloid content
Tabernaemontana pandacaqui
1 reference
stated in
Chemotaxonomic study of the genusTabernaemontana (Apocynaceae) based on their indole alkaloid content
Tabernaemontana corymbosa
1 reference
stated in
Alkaloids from leaves and root bark ofErvatamia hirta
Identifiers
InChI
InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3/t11-,12-,15-,17-,20-/m0/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
QLSITYRYHBQHBY-MHUVELHISA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
134716668
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
141912
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3/t11-,12-,15-,17-,20-/m0/s1
UniChem compound ID
166865417
1 reference
stated in
UniChem
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