N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide (CHEBI:102178)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:102178 - N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide

Take structure to advanced search

ChEBI ID	CHEBI:102178
ChEBI Name	N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
Stars
Downloads	Molfile

Formula	C26H32N4O5
Net Charge	0
Average Mass	480.565
Monoisotopic Mass	480.23727
SMILES	CN1CCN(C(=O)C[C@@H]2C[C@@H]3c4cc(NC(=O)Cc5ccncc5)ccc4O[C@@H]3[C@H](CO)O2)CC1
InChI	InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21+,23-,26-/m0/s1
InChIKey	LVKYMQHIUYSGLY-OXPRRSNCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide (CHEBI:102178) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-13536	LINCS