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(Q104988715)
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English
cephaeline
group of stereoisomers with the chemical formula C₂₈H₃₈N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoquinoline alkaloid
1 reference
inferred from
isoquinoline alkaloid
mass
466.283157696
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₃₈N₂O₄
0 references
canonical SMILES
OC=1C=C2C(=CC1OC)C(NCC2)CC3CC4C5=CC(OC)=C(OC)C=C5CCN4CC3CC
0 references
found in taxon
Carapichea ipecacuanha
5 references
stated in
Chemical Constituents of Psychotria nemorosa Gardner and Antinociceptive Activity
stated in
Three new O-methyltransferases are sufficient for all O-methylation reactions of ipecac alkaloid biosynthesis in root culture of Psychotria ipecacuanha
stated in
Antiparasitic alkaloids from Psychotria klugii.
stated in
Is a metabolic enzyme complex involved in the efficient and accurate control of Ipecac alkaloid biosynthesis in Psychotria ipecacuanha?
stated in
Molecular cloning of an O-methyltransferase from adventitious roots of Carapichea ipecacuanha
Alangium longiflorum
1 reference
stated in
Two Alangium alkaloids from Alangium lamarckii
Identifiers
InChI
InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3
0 references
InChIKey
DTGZHCFJNDAHEN-UHFFFAOYSA-N
0 references
CAS Registry Number
10159-64-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
2665
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DTGZHCFJNDAHEN-UHFFFAOYSA-N
ChEBI ID
181712
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3
UniChem compound ID
30450055
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310641
1 reference
InChIKey
DTGZHCFJNDAHEN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID00862004
1 reference
matched by identifier from
InChIKey
InChIKey
DTGZHCFJNDAHEN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0249806
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DTGZHCFJNDAHEN-UHFFFAOYSA-N
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