[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:130277)

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CHEBI:130277 - [(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

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ChEBI ID	CHEBI:130277
ChEBI Name	[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
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Downloads	Molfile

Formula	C29H30N2O5S
Net Charge	0
Average Mass	518.635
Monoisotopic Mass	518.18754
SMILES	COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)N(C)c4ccc(C#Cc5ccccc5OC)cc4[C@H]32)cc1
InChI	InChI=1S/C29H30N2O5S/c1-30-26-15-9-20(8-10-21-6-4-5-7-28(21)36-3)18-25(26)29-24(27(30)19-32)16-17-31(29)37(33,34)23-13-11-22(35-2)12-14-23/h4-7,9,11-15,18,24,27,29,32H,16-17,19H2,1-3H3/t24-,27+,29-/m0/s1
InChIKey	SBBMQKYVSIQUBM-HWUUJZMBSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:130277) is a pyrroloquinoline (CHEBI:50918)

Manual Xrefs	Databases
LSM-41826	LINCS