1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea (CHEBI:122891)

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CHEBI:122891 - 1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea

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ChEBI ID	CHEBI:122891
ChEBI Name	1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea
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Formula	C31H33N3O6
Net Charge	0
Average Mass	543.620
Monoisotopic Mass	543.23694
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)N4CCc5ccccc5C4)O[C@H](CO)[C@@H]2O3)cc1
InChI	InChI=1S/C31H33N3O6/c1-38-23-9-6-21(7-10-23)32-31(37)33-22-8-11-27-25(14-22)26-15-24(39-28(18-35)30(26)40-27)16-29(36)34-13-12-19-4-2-3-5-20(19)17-34/h2-11,14,24,26,28,30,35H,12-13,15-18H2,1H3,(H2,32,33,37)/t24-,26+,28-,30-/m1/s1
InChIKey	XMRNAPLDHHXMNZ-OENSZVHPSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea (CHEBI:122891) is a isoquinolines (CHEBI:24922)

Manual Xrefs	Databases
LSM-34334	LINCS