Compound: Allocryptopine
SMILES: O=C1c2c(cc3OCOc3c2)CCN(C)Cc4c(C1)ccc(c4OC)OC
InChIKey: HYBRYAPKQCZIAE-UHFFFAOYSA-N
Synonyms: Allocryptopine, 485-91-6, Thalictrimine, alpha-Allocryptopine, beta-Homochelidonine, alpha-Fagarine, Allocrytopine, EK27J8ROYB, 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one, CHEBI:17390, DTXSID60871677, allo-cryptopine, 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one, NSC-404531, 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo(c)(1,3)benzodioxolo(5,6-g)azecin-14(6H)-one, 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo(12.7.0.04,9.016,20)henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one, RefChem:27091, DTXCID40203972, 207-626-5, 622-215-4, 24240-04-8, Fagarine I, .alpha.-Fagarine, .beta.-Homochelidonine, Allocryptopin, .alpha.-Allocryptopine, 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-g]benzo[c]azecin-14(6H)-one, NSC645286, beta-Allocryptopine, 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methylbenzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl-[1,3]benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 7,8-DIMETHOXY-11-METHYL-17,19-DIOXA-11-AZATETRACYCLO[12.7.0.0?,?.0(1)?,(2)?]HENICOSA-1(14),4(9),5,7,15,20-HEXAEN-2-ONE, Benzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-, Benzo(e)(1,3)dioxolo(4,5-k)(3)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl- (VAN), gamma-Homochelidonine, UNII-EK27J8ROYB, Taliktrimin, a-Fagarine; Thalictrimine; a-allo-Cryptopine; ss-Homochelidonine, Alpha-Fagarine;, 3,4-dimethoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-g]benzo[c]azecin-14(15H)-one, Benzo[e][1,5-k][3]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl- (VAN8C, EINECS 207-626-5, .beta.-Allocryptopine, NSC 404531, .gamma.-Homochelidonine, Allocryptopine (Standard), ALLOCRYPTOPINE [MI], Taliktrimin (thalictrimine), Oprea1_535693, Oprea1_700961, MLS000765018, SCHEMBL673252, CHEMBL520043, MEGxp0_001784, orb1303450, orb3139285, SCHEMBL29568468, SCHEMBL30477770, ACon1_000293, HY-N1933R, WLZ4662, HMS2735D09, Allocryptopine; Alpha-Allocryptopine, HY-N1933, BBL027872, BDBM50130203, NSC148824, NSC404531, STL372863, AKOS000730626, CCG-104087, EBC-615906, FA65755, NSC 148824, NSC-148824, NSC-645286, [1,3]Benzodioxolo[5,6-e][2]benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-, 48216-02-0, AC-31294, SMR000283023, VS-08608, Gamma-Homochelidonine; Beta-Homochelidonine, DB-051564, CS-0018245, NS00042269, ST50219181, C02134, BRD-K86670801-001-01-1, BRD-K86670801-001-09-4, Q15410229, 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydro-11H-benzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one, 3,4-Dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one #, 3,4-dimethoxy-6-methyl-5H,7H,8H,11H,15H-benzo[1'',2''-8',9']azecino[5',4'-2,1] benzo[4,5-d]1,3-dioxolan-14-one, 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.0^{4,9}.0^{16,20}]henicosa-1(14),4(9),5,7,15,20-hexaen-2-one
Theoretical properties:
molecular_formula: C21H23NO5
molecular_weight: 369.4 g/mol
exact_mass: 369.15762283 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 27
topological_polar_surface_area: 57.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Allocryptopine is an aromatic ether, an organic heterotetracyclic compound, a dibenzazecine alkaloid, a cyclic ketone, a tertiary amino compound and a cyclic acetal.
chembl: ALLOCRYPTOPINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Allocryptopine is a bioactive alkaloid found in plants of the Papaveraceae family, including Glaucium arabicum, Argemone mexicana, Eschscholtzia, Corydalis, Fumaria, Chelidonium, Hunnemannia fumariifolia, Eschscholzia lobbii and other Papaveraceae plants.