1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(4-morpholinyl)ethanone (CHEBI:128049)

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CHEBI:128049 - 1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(4-morpholinyl)ethanone

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ChEBI ID	CHEBI:128049
ChEBI Name	1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(4-morpholinyl)ethanone
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Downloads	Molfile

Formula	C28H33N3O4
Net Charge	0
Average Mass	475.589
Monoisotopic Mass	475.24711
SMILES	COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H](CO)N3C)cc1
InChI	InChI=1S/C28H33N3O4/c1-29-25-10-7-21(4-3-20-5-8-22(34-2)9-6-20)17-24(25)28-23(26(29)19-32)11-12-31(28)27(33)18-30-13-15-35-16-14-30/h5-10,17,23,26,28,32H,11-16,18-19H2,1-2H3/t23-,26+,28-/m1/s1
InChIKey	IJBFXWDDXVRANN-RXWNPYQGSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(4-morpholinyl)ethanone (CHEBI:128049) is a pyrroloquinoline (CHEBI:50918)

Manual Xrefs	Databases
LSM-39605	LINCS