[(3aS,4R,9bS)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:125698)

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CHEBI:125698 - [(3aS,4R,9bS)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

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ChEBI ID	CHEBI:125698
ChEBI Name	[(3aS,4R,9bS)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
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Downloads	Molfile

Formula	C26H28N4O4S
Net Charge	0
Average Mass	492.601
Monoisotopic Mass	492.18313
SMILES	COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)C2=NC(C)C=N2)[C@H](CO)N3C)cc1
InChI	InChI=1S/C26H28N4O4S/c1-17-15-27-26(28-17)35(32,33)30-13-12-21-24(16-31)29(2)23-11-8-19(14-22(23)25(21)30)5-4-18-6-9-20(34-3)10-7-18/h6-11,14-15,17,21,24-25,31H,12-13,16H2,1-3H3/t17?,21-,24-,25-/m0/s1
InChIKey	JIACUDNUQKRFPQ-JDHTZGSBSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aS,4R,9bS)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:125698) is a pyrroloquinoline (CHEBI:50918)

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LSM-37267	LINCS