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(Q104999390)
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English
Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
iboga alkaloid
0 references
mass
368.209992756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,15S,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈N₂O₃
0 references
canonical SMILES
O=C(OC)C12C=3NC=4C=C(OC)C=CC4C3CCN5CC(CC(CC)C51)C2
0 references
isomeric SMILES
CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13
0 references
found in taxon
Tabernaemontana calcarea
2 references
stated in
New Cytotoxic Indole Alkaloids from Tabernaemontana calcarea from the Madagascar Rainforest
stated in
New Cytotoxic Indole Alkaloids fromTabernaemontana calcareafrom the Madagascar Rainforest.
Tabernaemontana elegans
3 references
stated in
Indole Alkaloids fromTabernaemontana elegans1
stated in
Indole alkaloids from a callus culture of Tabernaemontana elegans
stated in
Indole alkaloids from Tabernaemontana divaricata
Tabernaemontana stapfiana
1 reference
stated in
Plant Anticancer Agents V: New Bisindole Alkaloids from Tabernaemontana johnstonii Stem Bark
Tabernaemontana pachysiphon
2 references
stated in
Antimicrobially active alkaloids from Tabernaemontana pachysiphon
stated in
Leaf alkaloid contents of Tabernaemontana pachysiphon as influenced by endogenous and environmental factors in the natural habitat
Tabernaemontana catharinensis
2 references
stated in
Catharinensine, an oxindole alkaloid from Peschiera catharinensis
stated in
Qualitative determination of indole alkaloids, triterpenoids and steroids of Tabernaemontana hilariana
Montana elegans
1 reference
stated in
Indole alkaloids from a callus culture of Tabernaemontana elegans
Tabernaemontana crassa
1 reference
stated in
Alkaloids from Apocynaceae. III.1Alkaloids of Tabernaemontana and Ervatamia. The Structure of Coronaridine, A New Alkaloid Related to Ibogamine2
Tabernaemontana divaricata
1 reference
stated in
Indole alkaloids from Tabernaemontana divaricata
Tabernaemontana pandacaqui
1 reference
stated in
Two New Dimeric Indole Alkaloids from Tabernaemontana subglobosa MERR. from Taiwan.
Tabernaemontana corymbosa
1 reference
stated in
Five new iboga alkaloids from Tabernaemontana corymbosa
Tabernaemontana africana
1 reference
stated in
Antimicrobially Active Alkaloids from Tabernaemontana chippii
Tabernaemontana solanifolia
1 reference
stated in
Indole alkaloids from Peschiera campestris
Tabernaemontana grandiflora
1 reference
stated in
Alkaloids of Stemmadenia grandiflora
Identifiers
InChI
InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-17(7-8-24(12-13)20(14)22)16-6-5-15(26-2)10-18(16)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22-/m1/s1
0 references
InChIKey
FPUHKQMDWMVBRI-PHKAQXKASA-N
0 references
CAS Registry Number
596-54-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
99199
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
66671530
1 reference
stated in
UniChem
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