5-O-Methylmyricetin
PubChem CID: 5319731
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| Compound Synonyms | Myricetin 5-methyl ether, 5-O-Methylmyricetin, CHEMBL4470965, SCHEMBL12640011, CHEBI:196345, DTXSID201029314, 3,7-dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, LMPK12112555, 19077-84-0, Q4639638, 3,7-Dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dihydroxy-5-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 1.0 |
| Molecular Formula | C16H12O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDVGNSDGGWHPQZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.607 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.412 |
| Compound Name | 5-O-Methylmyricetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.053 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 332.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.897670133333333 |
| Inchi | InChI=1S/C16H12O8/c1-23-10-4-7(17)5-11-12(10)14(21)15(22)16(24-11)6-2-8(18)13(20)9(19)3-6/h2-5,17-20,22H,1H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C(=C3)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Simsii (Plant) Rel Props:Source_db:cmaup_ingredients