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(Q83037597)
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English
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoquinoline alkaloid
0 references
mass
207.125928784
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₇NO₂
0 references
canonical SMILES
O(C=1C=C2C(=CC1OC)CCN(C)C2)C
0 references
found in taxon
Pachycereus weberi
2 references
stated in
Search for new alkaloids in Pachycereus weberi by tandem mass spectrometry
stated in
Tetrahydroisoquinoline alkaloids of the Mexican columnar cactus Pachycereus Weberi
Berberis densiflora
4 references
stated in
Berberis alkaloids XXXIX. New alkaloids fromB. densiflora
stated in
Berberis alkaloids XXXIX. New alkaloids fromB. densiflora
stated in
Berberis alkaloids XXXIX. New alkaloids fromB. densiflora
stated in
Alkaloids ofBerberis integerrima
Nelumbo nucifera
1 reference
stated in
Alkaloids from Embryo of the Seed of Nelumbo Nucifera
Pachycereus militaris
1 reference
stated in
Identification of New Cactus Alkaloids in Backebergia militaris by Tandem Mass Spectrometry
Corydalis stricta
2 references
stated in
Alkaloids from Corydalis ambigua
stated in
Alkaloids from Corydalis Incisa
Papaver bracteatum
2 references
stated in
Corypalline and O-methylcorypalline, two alkaloids from Papaver bracteatum
stated in
Corypalline and O-methylcorypalline, two alkaloids from Papaver bracteatum
Thalictrum dioicum
1 reference
stated in
Alkaloids of Thalictrum. X. Two new alkaloids from T. minus var. adiantifolium: noroxyhydrastinine and thalifoline
Berberis integerrima
2 references
stated in
Berberis alkaloids XXXIX. New alkaloids fromB. densiflora
stated in
Alkaloids ofBerberis integerrima
Identifiers
InChI
InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
0 references
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
0 references
CAS Registry Number
16620-96-5
1 reference
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=16620-96-5
PubChem CID
27694
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
ChEBI ID
192040
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
UniChem compound ID
51542
1 reference
stated in
UniChem
NMRShiftDB structure ID
20039223
1 reference
matched by identifier from
InChIKey
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
DSSTox substance ID
DTXSID90168082
1 reference
matched by identifier from
InChIKey
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7090573
0 references
NSC number
280726
0 references
Human Metabolome Database ID
HMDB0029370
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
KNApSAcK ID
C00027451
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
UNII
UK294JA983
1 reference
matched by identifier from
InChIKey
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
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