[(3aS,4R,9bS)-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:125947)

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CHEBI:125947 - [(3aS,4R,9bS)-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

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ChEBI ID	CHEBI:125947
ChEBI Name	[(3aS,4R,9bS)-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
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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]2c2cc(C#Cc4cccnc4)ccc2N(C)[C@H]3CO)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-/m0/s1
InChIKey	XFZXYNJZDQRLIG-YGPDHOBYSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aS,4R,9bS)-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:125947) is a pyrroloquinoline (CHEBI:50918)

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LSM-37514	LINCS