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English
Polyneuridine
chemical compound
(4E,8E)-10-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoate
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl (1S,12S,14R,15E)-15-ethylidene-13-(hydroxymethyl)-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
352.1786926279999
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,12S,13S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
akuammidine
1 reference
based on heuristic
inferred from InChI
methyl (1S,12S,13R,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-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 InChI
chemical formula
C₂₁H₂₄N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=C1CN2C3CC1C(CO)(C(=O)OC)C2Cc1c3[nH]c2ccccc12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C=C1/CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@H]1[C@@]3(CO)C(=O)OC
1 reference
based on heuristic
inferred from InChI
found in taxon
Tabernaemontana coffeoides
1 reference
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Identifiers
InChI
InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17+,18+,21-/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
RCEFXZXHYFOPIE-VDMSZYBVSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
124576738
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
RCEFXZXHYFOPIE-VDMSZYBVSA-N
ChEBI ID
141948
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17+,18+,21-/m1/s1
UniChem compound ID
151081978
1 reference
stated in
UniChem
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