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(Q105307760)
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English
19E-geissoschizine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl (Z)-2-[(3E)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-hydroxyprop-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
352.178692628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(19S)-geissoschizine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄N₂O₃
0 references
canonical SMILES
O=C(OC)C(=CO)C1C(=CC)CN2CCC=3C=4C=CC=CC4NC3C2C1
0 references
isomeric SMILES
C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/O)C(=O)OC
0 references
found in taxon
Alstonia angustiloba
1 reference
stated in
Angustilobine and andranginine type indole alkaloids and an uleine-secovallesamine bisindole alkaloid from Alstonia angustiloba.
Alstonia scholaris
1 reference
stated in
Indole alkaloids from the leaves of Philippine Alstonia scholaris
Identifiers
InChI
InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16,19,22,24H,8-11H2,1-2H3/b13-3-,17-12-/t16-,19-/m0/s1
0 references
InChIKey
WKWHYFHGTWZCLM-KGZWXYIYSA-N
0 references
CAS Registry Number
439-66-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10948159
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
17037
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16,19,22,24H,8-11H2,1-2H3/b13-3-,17-12-/t16-,19-/m0/s1
UniChem compound ID
33019704
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001105463
1 reference
matched by identifier from
InChIKey
InChIKey
WKWHYFHGTWZCLM-KGZWXYIYSA-N
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