Compound: Rutaecarpine
SMILES: O=c1n2c(nc3c1cccc3)-c4[nH]c5ccccc5c4CC2
InChIKey: ACVGWSKVRYFWRP-UHFFFAOYSA-N
Synonyms: Rutaecarpine, 84-26-4, Rutecarpine, 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8XZV289PRY, NSC-258317, 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 8,13-DIHYDROINDOLO(2',3':3,4)PYRIDO(2,1-B)QUINAZOLIN-5(7H)-ONE, 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 3,13,21-triazapentacyclo(11.8.0.0^(2,10).0^(4,9).0^(15,20))henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, 3,13,21-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, RefChem:883989, Rutacarpine, Rhetine, Rutaecarpin, Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-, MFCD00210551, CHEMBL85139, 7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one, 8,13-Dihydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-Dihydroindolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro-, SMR001230721, SR-01000076104, UNII-8XZV289PRY, NSC 258317, rutuecarpine, Rhetine;, 8,13-dihydro-Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, DTXSID00232884, ACVGWSKVRYFWRP-UHFFFAOYSA-N, Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-; Rutecarpine (6CI,7CI,8CI); 8,13-Dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one; NSC 258317; Rhetine; Rutaecarpine, Rutaecarpine (Standard), RUTECARPINE [MI], Lopac-R-3277, Rutaecarpine (Rutecarpine), UPCMLD-DP040, Lopac0_001091, Oprea1_313284, cid_65752, MLS002153304, MLS006011796, SCHEMBL288507, CHEBI:8922, orb1304787, orb3140720, Rutaecarpine, >98% (HPLC), SCHEMBL29406533, SCHEMBL29693598, UPCMLD-DP040:001, HY-N0147R, HMS2233M24, HMS3263K04, HMS3374B10, HMS3656C09, HMS3884P13, HMS5080L14, ALBB-028246, HY-N0147, MSK40308, Tox21_501091, BBL028393, BDBM50131046, EBC-13036, NSC258317, s2349, STL146385, AKOS005720935, CCG-205168, CS-6160, FR09427, GS-3618, LP01091, SDCCGSBI-0051061.P002, SMP2_000103, NCGC00015892-01, NCGC00015892-02, NCGC00015892-03, NCGC00015892-04, NCGC00015892-05, NCGC00015892-06, NCGC00015892-07, NCGC00015892-08, NCGC00015892-13, NCGC00094364-01, NCGC00094364-03, NCGC00094364-04, NCGC00261776-01, 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one, AC-34838, NCI60_002069, EU-0101091, NS00115956, R0102, RutaecarpineRutacarpine; Rhetine; Rutaecarpin, SW220226-1, C09238, EN300-302963, H10091, R 3277, SR-01000076104-2, SR-01000076104-6, BRD-K94723713-001-10-6, Q15424771, Z2768165384, Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-, 8,13-Dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one, InChI=1/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H
Theoretical properties:
molecular_formula: C18H13N3O
molecular_weight: 287.3 g/mol
exact_mass: 287.105862047 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 22
topological_polar_surface_area: 48.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 209.00 °C. @ 760.00 mm Hg
melting_point: 260 °C
solubility: very slightly
Descriptions:
pubchem: Rutecarpine is a member of beta-carbolines.
chembl: RUTAECARPINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Rutecarpine or rutaecarpine is a COX-2 inhibitor isolated from Tetradium ruticarpum, a tree native to China. It is classified as a non-basic alkaloid.
In contrast to synthetic COX-2 inhibitors like etoricoxib and celecoxib, rutecarpine does not appear to cause negative effects on the cardiovascular system.