Dehydroryanodine
AlkaPlorer ID: AK031876
Synonym: None
IUPAC Name: [(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
Structure
SMILES: C=C1CC[C@]2(O)[C@]3(C)C[C@]4(O)O[C@@]2([C@@H]1O)[C@]1(O)[C@@]3(O)[C@H](OC(=O)C2=CC=CN2)[C@](O)(C(C)C)[C@@]14C
InChI: InChI=1S/C25H33NO9/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/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19+,20+,21+,22-,23-,24-,25-/m1/s1
InChIKey: BPFNBBLVUYSFRK-OHEPIYSBSA-N
Reference
Analysis by HPLC of Ryanodine and Dehydroryanodine Residues on Fruits and in Ryania Powdery Wood
PubChem CID: 125168
LOTUS: LTS0237358
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ryania speciosa | Ryania | Salicaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.5370000000002
TPSA？: 172.7
MolLogP？: -0.2675000000000009
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Musca domestica | Musca domestica | KD50 | 0.03 | ug/g | 10.1021/jm00387a022 |
| Musca domestica | Musca domestica | Ratio | 90.0 | None | 10.1021/jm00061a003 |
| Musca domestica | Musca domestica | Ratio | 136.0 | None | 10.1021/jm00061a003 |
| Mus musculus | Mus musculus | LD50 | 0.1 | mg.kg-1 | 10.1021/jm00387a022 |
| Mus musculus | Ryanodine receptor 3 | Ratio | 77.0 | None | 10.1021/jm00061a003 |
| Oryctolagus cuniculus | Ryanodine receptor 1 | IC50 | 13.0 | nM | 10.1021/jm00387a022 |
| Oryctolagus cuniculus | Ryanodine receptor 1 | Ratio | 91.0 | None | 10.1021/jm00061a003 |
| Oryctolagus cuniculus | Ryanodine receptor 1 | Ratio | 112.0 | None | 10.1021/jm00061a003 |