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(Q82235793)
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isogranulatimide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alpha-carboline alkaloid
0 references
mass
276.064725496
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₈N₄O₂
0 references
canonical SMILES
C1=CC=C2C(=C1)C3=C(N2)N4C=NC=C4C5=C3C(=O)NC5=O
0 references
found in taxon
Didemnum conchyliatum
3 references
stated in
A cyclized didemnimide alkaloid from the caribbean ascidian didemnumconchyliatum
stated in
A cyclized didemnimide alkaloid from the caribbean ascidian didemnumconchyliatum
stated in
Granulatimide and Isogranulatimide, Aromatic Alkaloids with G2 Checkpoint Inhibition Activity Isolated from the Brazilian AscidianDidemnumgranulatum: Structure Elucidation and Synthesis†
Didemnum granulatum
1 reference
stated in
Granulatimide and Isogranulatimide, Aromatic Alkaloids with G2 Checkpoint Inhibition Activity Isolated from the Brazilian AscidianDidemnumgranulatum: Structure Elucidation and Synthesis†
Identifiers
InChI
InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)
0 references
InChIKey
WXUJAQBSBZLVEV-UHFFFAOYSA-N
0 references
CAS Registry Number
219829-00-2
1 reference
InChIKey
WXUJAQBSBZLVEV-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=219829-00-2
PubChem CID
6419741
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEMBL ID
CHEMBL413188
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
8 February 2021
DSSTox substance ID
DTXSID40423552
1 reference
matched by identifier from
InChIKey
InChIKey
WXUJAQBSBZLVEV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60374390
0 references
Guide to Pharmacology Ligand ID
5991
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
5 February 2021
KNApSAcK ID
C00026530
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WXUJAQBSBZLVEV-UHFFFAOYSA-N
UNII
VMW79WB6KQ
1 reference
matched by identifier from
InChIKey
InChIKey
WXUJAQBSBZLVEV-UHFFFAOYSA-N
Probes And Drugs ID
PD041923
0 references
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