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(Q104978109)
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English
CID 10170
group of stereoisomers with the chemical formula C₃₇H₄₀N₂O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
isoquinoline alkaloid
1 reference
inferred from
isoquinoline alkaloid
mass
608.288637
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₄₀N₂O₆
0 references
canonical SMILES
OC1=CC=C2C=C1OC3=CC=C(C=C3)CC4C5=CC(OC=6C(OC)=C(OC)C=C7C6C(N(C)CC7)C2)=C(OC)C=C5CCN4C
0 references
found in taxon
Berberis
1 reference
stated in
Inhibition by berberine of cyclooxygenase-2 transcriptional activity in human colon cancer cells
Berberis vulgaris
1 reference
stated in
Thin-layer chromatographic studies of alkaloids from Berberis vulgaris
Berberis thunbergii
1 reference
stated in
Berberis alkaloids
Berberis oblonga
1 reference
stated in
Berberis Alkaloids XXXVIII. Turcamine ? A new isoquinoline alkaloid fromBerberis turcomanica
Berberis heterobotrys
1 reference
stated in
Berberis alkaloids XXXII. Berberal — A new alkaloid fromBerberis heterobotrys
Mahonia aquifolium
1 reference
stated in
Berberis alkaloids
Berberis integerrima
1 reference
stated in
Berberis Alkaloids XXXVIII. Turcamine ? A new isoquinoline alkaloid fromBerberis turcomanica
Identifiers
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
0 references
InChIKey
DFOCUWZXJBAUSQ-UHFFFAOYSA-N
0 references
PubChem CID
10170
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
182116
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3
SureChEMBL ID
SCHEMBL19041
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DFOCUWZXJBAUSQ-UHFFFAOYSA-N
UniChem compound ID
204987
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0242681
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DFOCUWZXJBAUSQ-UHFFFAOYSA-N
Probes And Drugs ID
PD065441
0 references
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