Compound: CHELIDONINE
SMILES: O1c2c3c(ccc2OC1)[C@@H]4[C@@H](c5c(cc6OCOc6c5)C[C@@H]4O)N(C3)C
InChIKey: GHKISGDRQRSCII-ZOCIIQOWSA-N
Synonyms: CHELIDONINE, Stylophorin, Chelidonin, Khelidonin, Helidonine, CHEBI:31389, 8K7EK8446J, DTXSID10878474, (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol, (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol, RefChem:32153, DTXCID501016520, 207-504-1, 476-32-4, (+)-Chelidonine, MFCD00069660, 4UDG3LY0GT, (+/-)-chelidonine, Chelidoniny, 20267-87-2, (5bR,6S,12bS)-13-Methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol, Stylophorine, Chelidonin [German], Chelidoniny [Polish], UNII-8K7EK8446J, NSC646661, (1)-Chelidonine, (1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL-, (5BR,6S,12BS)-, (1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL-, (5BR,6S,12BS)-REL-, [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-, [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-rel-, EINECS 207-504-1, Chelidonine (+-)-, Chelidonine (Standard), Prestwick0_000587, Prestwick1_000587, Prestwick2_000587, Prestwick3_000587, UNII-4UDG3LY0GT, BSPBio_000434, CHELIDONINE [WHO-DD], DIPHYLLINE (ALKALOID), CHELIDONINE (+)-FORM, SCHEMBL563820, SPBio_002653, BPBio1_000478, CHEMBL496867, MEGxp0_001421, orb1301354, orb3139449, Chelidonine ((+)-Chelidonine), SCHEMBL29387014, ACon1_000007, CHELIDONINE, (+/-)-, HY-N2369R, WLZ4634, HMS3886N18, HY-N2369, CHELIDONINE (+)-FORM [MI], Chelidonine, >=97.0% (HPLC), EINECS 243-662-8, BDBM50480259, MSK168746, s9154, AKOS016010202, CCG-208430, EBC-578241, FS66040, CHELIDONINE (+/-)-FORM [MI], NCGC00167959-01, NCGC00167959-02, NCGC00167959-03, NCGC00167959-05, NCGC00167959-08, NCGC00167959-12, AC-34033, MS-25483, CS-0022550, NS00003894, SR-05000002251, Q1069066, SR-05000002251-2, BRD-K32828673-001-01-5, BRD-K32828673-002-03-9, (5BR-(5B.ALPHA.,6.BETA.,12B.ALPHA.))-5B,6,7,12B,13,14-HEXAHYDRO-13-METHYL(1,3)BENZODIOXOLO(5,6-C)-1,3-DIOXOLO(4,5-I)PHENANTHRIDIN-6-OL, 5b,6,7,12b,13,14-Hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenan-thridin-6-ol, Rel-(5bR,6R,12bS)-13-methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol
Theoretical properties:
molecular_formula: C20H19NO5
molecular_weight: 353.4 g/mol
exact_mass: 353.12632271 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 0
heavy_atom_count: 26
topological_polar_surface_area: 60.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Chelidonine is an alkaloid fundamental parent, a benzophenanthridine alkaloid and an alkaloid antibiotic.
chembl: CHELIDONINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Chelidonine is an isolate of Papaveraceae with acetylcholinesterase and butyrylcholinesterase inhibitory activity.