14,15-Dihydrosiphonodiol
PubChem CID: 23425929
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| Compound Synonyms | 14,15-Dihydrosiphonodiol, (Z,2R)-tricos-20-en-3,5,10,12,22-pentayne-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 706.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z,2R)-tricos-20-en-3,5,10,12,22-pentayne-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C23H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXKNSXTVPUUYQM-GYLQWBMOSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -5.489 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.839 |
| Compound Name | 14,15-Dihydrosiphonodiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.5452458 |
| Inchi | InChI=1S/C23H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h1,3-4,23-25H,5-10,15-17,22H2/b4-3-/t23-/m1/s1 |
| Smiles | C#C/C=C\CCCCCCC#CC#CCCCC#CC#C[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jacobaea Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Machilus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Thalictrum Baicalense (Plant) Rel Props:Source_db:cmaup_ingredients