(2S)-5'-hydroxy-7,8,3',4'-tetramethoxyflavan
PubChem CID: 44567047
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (2S)-5'-hydroxy-7,8,3',4'-tetramethoxyflavan, CHEMBL459241, DTXSID801144120, 133342-93-5, 5-[(2S)-3,4-Dihydro-7,8-dimethoxy-2H-1-benzopyran-2-yl]-2,3-dimethoxyphenol |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-[(2S)-7,8-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2,3-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YZRKAZJVZYMSAE-AWEZNQCLSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.961 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.245 |
| Compound Name | (2S)-5'-hydroxy-7,8,3',4'-tetramethoxyflavan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 346.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 346.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1169498 |
| Inchi | InChI=1S/C19H22O6/c1-21-15-8-6-11-5-7-14(25-17(11)19(15)24-4)12-9-13(20)18(23-3)16(10-12)22-2/h6,8-10,14,20H,5,7H2,1-4H3/t14-/m0/s1 |
| Smiles | COC1=C(C2=C(CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)O)C=C1)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all