(2S)-8-hydroxy-7,3',4',5'-tetramethoxyflavan
PubChem CID: 44567048
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| Compound Synonyms | (2S)-8-hydroxy-7,3',4',5'-tetramethoxyflavan, CHEMBL459242, DTXSID501139601, 133342-94-6, 2H-1-Benzopyran-8-ol, 3,4-dihydro-7-methoxy-2-(3,4,5-trimethoxyphenyl)-, (S)- |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SAGNKCOQTWVSNK-ZDUSSCGKSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.111 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.098 |
| Compound Name | (2S)-8-hydroxy-7,3',4',5'-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/c1-21-14-8-6-11-5-7-13(25-18(11)17(14)20)12-9-15(22-2)19(24-4)16(10-12)23-3/h6,8-10,13,20H,5,7H2,1-4H3/t13-/m0/s1 |
| Smiles | COC1=C(C2=C(CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)C=C1)O |
| 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