[(3aR,4R,9bR)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:127345)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127345 - [(3aR,4R,9bR)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

Take structure to advanced search

ChEBI ID	CHEBI:127345
ChEBI Name	[(3aR,4R,9bR)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
Stars
Downloads	Molfile

Formula	C27H27N3O4S
Net Charge	0
Average Mass	489.597
Monoisotopic Mass	489.17223
SMILES	COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(C#Cc5cccnc5)cc4[C@@H]32)c1
InChI	InChI=1S/C27H27N3O4S/c1-29-25-11-10-19(8-9-20-5-4-13-28-17-20)15-24(25)27-23(26(29)18-31)12-14-30(27)35(32,33)22-7-3-6-21(16-22)34-2/h3-7,10-11,13,15-17,23,26-27,31H,12,14,18H2,1-2H3/t23-,26+,27-/m1/s1
InChIKey	XFZXYNJZDQRLIG-DURWQBQJSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aR,4R,9bR)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:127345) is a pyrroloquinoline (CHEBI:50918)

Manual Xrefs	Databases
LSM-38903	LINCS