Oploxyne B
PubChem CID: 46832813
Connections displayed (default: 10).
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| Compound Synonyms | OPLOXYNE B, CHEMBL1098422, (3S,8R,9R,10R)-10-methoxyheptadeca-4,6-diyne-3,8,9-triol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,8R,9R,10R)-10-methoxyheptadeca-4,6-diyne-3,8,9-triol |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVLOVPUOMLOXJT-BSDSXHPESA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -3.492 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.104 |
| Compound Name | Oploxyne B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9883908000000003 |
| Inchi | InChI=1S/C18H30O4/c1-4-6-7-8-9-14-17(22-3)18(21)16(20)13-11-10-12-15(19)5-2/h15-21H,4-9,14H2,1-3H3/t15-,16+,17+,18+/m0/s1 |
| Smiles | CCCCCCC[C@H]([C@@H]([C@@H](C#CC#C[C@H](CC)O)O)O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all