[(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone (CHEBI:127044)

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CHEBI:127044 - [(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone

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ChEBI ID	CHEBI:127044
ChEBI Name	[(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone
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Formula	C27H30N2O4
Net Charge	0
Average Mass	446.547
Monoisotopic Mass	446.22056
SMILES	CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc3c(c2)OCO3)[C@@H]1CO
InChI	InChI=1S/C27H30N2O4/c1-28-22-9-7-18(17-5-3-2-4-6-17)13-21(22)26-20(23(28)15-30)11-12-29(26)27(31)19-8-10-24-25(14-19)33-16-32-24/h5,7-10,13-14,20,23,26,30H,2-4,6,11-12,15-16H2,1H3/t20-,23-,26-/m0/s1
InChIKey	QJGLWAWSUWUBCM-CHZKFRDHSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aR,4R,9bS)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone (CHEBI:127044) is a pyrroloquinoline (CHEBI:50918)

Manual Xrefs	Databases
LSM-38607	LINCS