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(Q104397267)
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Vallesamine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl (14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
1 reference
based on heuristic
inferred from SMILES
methyl (12R,13R,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
1 reference
based on heuristic
inferred from SMILES
Methyl 14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
340.178692628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0³,¹¹.0⁴,⁹]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (12S,13S,14Z)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
19,20-E-vallesamine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₄N₂O₃
0 references
canonical SMILES
O=C(OC)C1(C=2NC=3C=CC=CC3C2CN4CC(=CC)C1CC4)CO
0 references
isomeric SMILES
C/C=C1\CN2CC[C@@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2
0 references
found in taxon
Alstonia scholaris
1 reference
stated in
Alkaloids from the leaves of Alstonia scholaris in Taiwan, Thailand, Indonesia and the Philippines
Tabernaemontana markgrafiana
1 reference
stated in
Indole alkaloids and terpenoids fromTabernaemontana markgrafiana
Tabernaemontana cymosa
1 reference
stated in
Alkaloids from stem bark and leaves of Peschiera buchtieni
Alstonia angustiloba
2 references
stated in
Angustilodine, an Unusual Pentacyclic Indole Alkaloid from Alstonia.
stated in
Some New Vallesamine-Type Alkaloids
Alstonia pneumatophora
1 reference
stated in
Some New Vallesamine-Type Alkaloids
Tabernaemontana dichotoma
1 reference
stated in
Alkaloids of stem and rootbark of Tabernaemontana dichotoma
Tabernaemontana pandacaqui
1 reference
stated in
Indole alkaloids from Tabernaemontana pandacaqui in the Philippines
Tabernaemontana coffeoides
1 reference
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Tabernaemontana amblyocarpa
1 reference
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Tabernaemontana alba
1 reference
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Identifiers
InChI
InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3+/t16-,20+/m0/s1
0 references
InChIKey
JZKSIYFJGCTTET-QMBIXULJSA-N
0 references
PubChem CID
101286269
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96959092
1 reference
stated in
UniChem
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