Compound: ryanodine
SMILES: O=C(O[C@H]1[C@]2(O)[C@@]3(O)[C@@]45O[C@@]([C@@]3([C@@]1(O)C(C)C)C)(O)C[C@]2([C@@]5(O)CC[C@@H]([C@H]4O)C)C)c6[nH]ccc6
InChIKey: JJSYXNQGLHBRRK-SFEDZAPPSA-N
Synonyms: ryanodine, 15662-33-6, Ryanodin, Ryanodol, 3-(1H-pyrrole-2-carboxylate), Ryania, DTXSID0032574, Ryanex, CHEBI:8925, [(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, (3S,4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester, (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate, (+)-RYANODINE, NSC-114572, ((1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo(7.5.1.01,6.07,13.010,14)pentadecan-12-yl) 1H-pyrrole-2-carboxylate, (1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo(7.5.1.0^(1,6).0^(7,13).0^(10,14))pentadecan-12-yl 1H-pyrrole-2-carboxylate, (1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate, (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo(1,2)pentaleno(1,6-bc)furan-8-yl 1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, (3S,4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(1-methylethyl)-6,9-methanobenzo(1,2)pentaleno(1,6-bc)furan-8-yl ester, RefChem:931041, DTXCID8012574, ((1R,2R,3S,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo(7.5.1.01,6.07,13.010,14)pentadecan-12-yl) 1H-pyrrole-2-carboxylate, (1R,2R,3S,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo(7.5.1.01,6.07,13.010,14)pentadecan-12-yl 1H-pyrrole-2-carboxylate, 239-732-2, 37H6ATE4SA, Ryanicide, [(2R,3S,6S,7S,10R,11R,13S,14R)-2,6,9,11,13,14-Hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate, (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-7-isopropyl-3,6a,9-trimethyldodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate, C25H35NO9, JJSYXNQGLHBRRK-SFEDZAPPSA-N, SCHEMBL118946, GTPL4303, AKOS016011051, FR30087, NS00025087, Q59851226, [(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-11-isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
Theoretical properties:
molecular_formula: C25H35NO9
molecular_weight: 493.5 g/mol
exact_mass: 493.23118169 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 4
heavy_atom_count: 35
topological_polar_surface_area: 173 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ryanodine is an insecticide alkaloid isolated from South American plant Ryania speciosa. It has a role as a phytogenic insecticide and a ryanodine receptor modulator. It is an alkaloid and a cyclic hemiketal.
chebi: An insecticide alkaloid isolated from South American plant <em>Ryania speciosa</em>.