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(Q105121579)
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Voachalotin
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
Methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
366.194342692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₆N₂O₃
0 references
canonical SMILES
O=C(OC)C1(CO)C2C(=CC)CN3C(C4=C(C=5C=CC=CC5N4C)CC31)C2
0 references
isomeric SMILES
C/C=C1/CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12
0 references
found in taxon
Tabernaemontana bovina
1 reference
stated in
Indole alkaloids from three species of the Ervatamia genus: E. officinalis, E. divaricata, and E. divaricata Gouyahua.
Ochrosia acuminata
1 reference
stated in
New indole alkaloids from the roots of Ochrosia acuminata
Identifiers
InChI
InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18-,19-,22+/m0/s1
0 references
InChIKey
IWEYXWIPVZEVPT-VQVRLUHXSA-N
0 references
CAS Registry Number
664-25-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
12444908
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IWEYXWIPVZEVPT-VQVRLUHXSA-N
ChEBI ID
141967
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18-,19-,22+/m0/s1
UniChem compound ID
21841807
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701317883
1 reference
matched by identifier from
InChIKey
InChIKey
IWEYXWIPVZEVPT-VQVRLUHXSA-N
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