paullone (CHEBI:138487)

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ChEBI Name	paullone

ChEBI ID	CHEBI:138487

Definition	An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Charles Tapley Hoyt

Supplier Information

Download	Molfile XML SDF

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Formula

C16H12N2O

Net Charge

Average Mass

248.285

Monoisotopic Mass

248.09496

InChI

InChI=1S/C16H12N2O/c19-15-9-12-10-5-1-3-7-13(10)18-16(12)11-6-2-4-8-14(11)17-15/h1-8,18H,9H2,(H,17,19)

InChIKey

VGMDAWVZNAXVDG-UHFFFAOYSA-N

SMILES

O=C1CC2=C(NC3=CC=CC=C23)C2=CC=CC=C2N1

Roles Classification
Biological Role(s):	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22). EC 2.7.11.26 (tau-protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26).

ChEBI Ontology
Outgoing	paullone (CHEBI:138487) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665) paullone (CHEBI:138487) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092) paullone (CHEBI:138487) is a indolobenzazepine (CHEBI:138606) paullone (CHEBI:138487) is a lactam (CHEBI:24995)

Incoming	alsterpaullone (CHEBI:138488) has functional parent paullone (CHEBI:138487) kenpaullone (CHEBI:92658) has functional parent paullone (CHEBI:138487)

IUPAC Name

7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one

Synonym	Source
8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one	SUBMITTER

Last Modified

09 November 2021