Tamarixinol
PubChem CID: 171649
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| Compound Synonyms | Tamarixinol, 119708-39-3, Phenol, 3-methoxy-5-tricosyl-, DTXSID60152554, 3-methoxy-5-tricosylphenol, DTXCID8075045 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-5-tricosylphenol |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 13.7 |
| Is Pains | False |
| Molecular Formula | C30H54O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YUUVODVQILHYOV-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 23.0 |
| Compound Name | Tamarixinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.412 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 446.412 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 446.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.867962 |
| Inchi | InChI=1S/C30H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-25-29(31)27-30(26-28)32-2/h25-27,31H,3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aconitum Legendrei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aconitum Nemorum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aconitum Talassicum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Aconitum Variegatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients