Tetrahydrosiphonodiol
PubChem CID: 23425930
Connections displayed (default: 10).
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| Compound Synonyms | Tetrahydrosiphonodiol, (2R,12Z,20Z)-tricosa-12,20-dien-3,5,10,22-tetrayne-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 | 646.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R,12Z,20Z)-tricosa-12,20-dien-3,5,10,22-tetrayne-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C23H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSDJVWPCHMTOCB-ULXABURLSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -5.298 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.954 |
| Compound Name | Tetrahydrosiphonodiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 336.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.642945000000001 |
| Inchi | InChI=1S/C23H28O2/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/h1,3-4,11-12,23-25H,5-10,15-17,22H2/b4-3-,12-11-/t23-/m1/s1 |
| Smiles | C#C/C=C\CCCCCC/C=C\C#CCCCC#CC#C[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 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