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(Q83108410)
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English
10-Hydroxyheyneanine
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
iboga alkaloid
0 references
mass
370.189257312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆N₂O₄
0 references
canonical SMILES
O=C(OC)C12C=3NC=4C=CC(O)=CC4C3CCN5CC(CC(C(O)C)C51)C2
0 references
isomeric SMILES
COC(=O)[C@@]12C[C@H]3C[C@@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccc(O)cc12)C3
0 references
found in taxon
Tabernaemontana ventricosa
1 reference
stated in
Alkaloids of Tabernaemontana ventricosa
Tabernanthe iboga
1 reference
stated in
Alcaloides de Tabernanthe pubescens
Identifiers
InChI
InChI=1S/C21H26N2O4/c1-11(24)15-7-12-9-21(20(26)27-2)18-14(5-6-23(10-12)19(15)21)16-8-13(25)3-4-17(16)22-18/h3-4,8,11-12,15,19,22,24-25H,5-7,9-10H2,1-2H3/t11-,12+,15-,19-,21+/m0/s1
0 references
InChIKey
IEUHGCGGKJVFFN-PXIICCPISA-N
0 references
CAS Registry Number
77795-14-3
0 references
PubChem CID
157114
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IEUHGCGGKJVFFN-PXIICCPISA-N
UniChem compound ID
56913932
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30228417
1 reference
matched by identifier from
InChIKey
InChIKey
IEUHGCGGKJVFFN-PXIICCPISA-N
DSSTOX compound identifier
DTXCID50150908
0 references
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