Ryania
PubChem CID: 441753
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ryanodine, Ryania, Ryanicide, Ryania [ISO], Ryanexel, Ryanex, Bonide ryatox, Ryania powder, 37H6ATE4SA, 15662-33-6, RYANODINE [MI], EINECS 239-732-2, (+)-RYANODINE, NSC 114572, Ryanodin, Ground ryania specisa(vahl) stemwood (alkoloid ryanodine), 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, Ryanodol, 3-(1H-pyrrole-2-carboxylate), NSC-114572, [(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, CHEBI:8925, UNII-37H6ATE4SA, DTXSID0032574, Ryanias, ((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, (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, txid312403, SCHEMBL5933502, DTXCID8012574, JJSYXNQGLHBRRK-YSOSZROBSA-N, Ryania speciosa, powdered stems of, (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, MS-29167, HY-103306, CS-0027567, C08705, Q424726, 6-(1alpha,5Abeta,8abeta,9-pentahydroxy-7beta-isopropyl-2beta,5beta,8beta-trimethylperhydro-8balpha,9-epoxy-5,8-ethanocyclopenta(1,2-b)indenyl) pyrrole-2-carboxylate |
|---|---|
| Topological Polar Surface Area | 173.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | [(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 |
| Prediction Hob | 0.0 |
| Xlogp | -0.5 |
| Molecular Formula | C25H35NO9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJSYXNQGLHBRRK-YSOSZROBSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.414 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.763 |
| Compound Name | Ryania |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 493.231 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 493.231 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 493.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.458242885714286 |
| Inchi | InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1 |
| Smiles | C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hymenoxys Odorata (Plant) Rel Props:Source_db:cmaup_ingredients