Virol B
PubChem CID: 10753985
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Virol B, (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol, CHEMBL435827, CHEBI:138869, (8S,9Z)-9-Heptadecene-4,6-diyne-1,8-diol, C19994 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q9ES14 |
| Iupac Name | (Z,8S)-heptadec-9-en-4,6-diyne-1,8-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OZXJUTMPBYVTKB-IFCKCIONSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.0 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.337 |
| Compound Name | Virol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6133365999999993 |
| Inchi | InChI=1S/C17H26O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h11,14,17-19H,2-6,8,10,13,16H2,1H3/b14-11-/t17-/m0/s1 |
| Smiles | CCCCCCC/C=C\[C@@H](C#CC#CCCCO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all