5-Deoxyrhamnocitrin
PubChem CID: 5319452
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-Deoxyrhamnocitrin, 84638-53-9, 7-Methoxy-4'-hydroxyflavonol, 3-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, CHEMBL3609294, 3,4'-Dihydroxy-7-methoxyflavone, LMPK12111553, XD182993 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 436.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAESYLAPUNIHOF-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.757 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.599 |
| Compound Name | 5-Deoxyrhamnocitrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3383649238095234 |
| Inchi | InChI=1S/C16H12O5/c1-20-11-6-7-12-13(8-11)21-16(15(19)14(12)18)9-2-4-10(17)5-3-9/h2-8,17,19H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all