Taraxafolin
PubChem CID: 10987942
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| Compound Synonyms | Taraxafolin, methyl (3S)-3-(3,4-dihydroxyphenyl)-3-methoxypropanoate, 626236-63-3 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (3S)-3-(3,4-dihydroxyphenyl)-3-methoxypropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C11H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MQBHUFWQURHVOQ-JTQLQIEISA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -1.035 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.223 |
| Compound Name | Taraxafolin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 226.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 226.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6437135999999999 |
| Inchi | InChI=1S/C11H14O5/c1-15-10(6-11(14)16-2)7-3-4-8(12)9(13)5-7/h3-5,10,12-13H,6H2,1-2H3/t10-/m0/s1 |
| Smiles | CO[C@@H](CC(=O)OC)C1=CC(=C(C=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients