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(Q105371511)
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English
Thalicarpin
group of stereoisomers with the chemical formula C₄₁H₄₈N₂O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoquinoline alkaloid
1 reference
inferred from
isoquinoline alkaloid
aporphine alkaloids
1 reference
inferred from
aporphine alkaloids
mass
696.341066496
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₁H₄₈N₂O₈
0 references
canonical SMILES
O(C=1C=C2C(=CC1OC)C=3C(OC)=C(OC)C=C4C3C(N(C)CC4)C2)C5=CC(OC)=C(OC)C=C5CC6C7=CC(OC)=C(OC)C=C7CCN6C
0 references
found in taxon
Hernandia nymphaeifolia
2 references
stated in
Anti-platelet aggregation alkaloids and lignans from Hernandia nymphaeifolia
stated in
New dimeric aporphine alkaloids and cytotoxic constituents of Hernandia nymphaeifolia
Thalictrum dioicum
1 reference
stated in
Alkaloids of Thalictrum. X. Two new alkaloids from T. minus var. adiantifolium: noroxyhydrastinine and thalifoline
Identifiers
InChI
InChI=1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3
0 references
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
0 references
PubChem CID
609931
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL24000036
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
UniChem compound ID
24365622
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-NGA00745
1 reference
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00746
1 reference
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00747
1 reference
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA00748
1 reference
InChIKey
ZCTJIMXXSXQXRI-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
DTXSID00871914
1 reference
matched by identifier from
InChIKey
InChIKey
ZCTJIMXXSXQXRI-UHFFFAOYSA-N
Probes And Drugs ID
PD074646
0 references
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