CHEBI:93669 - 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one
ChEBI ID CHEBI:93669
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C23H25NO4
Net Charge 0
Average Mass 379.450
Monoisotopic Mass 379.17836
InChI InChI=1S/C23H25NO4/c1-4-15-5-6-19-18(12-23(25)28-20(19)9-15)14-24-8-7-16-10-21(26-2)22(27-3)11-17(16)13-24/h5-6,9-12H,4,7-8,13-14H2,1-3H3
InChIKey NNKOHTRHDXDDIU-UHFFFAOYSA-N
SMILES CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3)OC)OC
ChEBI Ontology
Outgoing 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one (CHEBI:93669) is a coumarins (CHEBI:23403)
Manual Xref Database
LSM-4145 LINCS
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