Annulatin
PubChem CID: 44259709
Connections displayed (default: 10).
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| Compound Synonyms | Annulatin, 3-O-methylmyricetin, 1486-67-5, myricetin 3-methyl ether, E49FR3626E, UNII-E49FR3626E, Flavone, 3,4,5,5,7-pentahydroxy-3-methoxy-, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)-, 5,7-Dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, SCHEMBL10041306, DTXSID40658069, CHEBI:193268, LMPK12112779, 5,7,3',4',5'-pentahydroxy-3-methoxyflavone, Q4769734 |
|---|---|
| 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 | 5,7-dihydroxy-3-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H12O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWTLYULBWZQAAZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.669 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.883 |
| Compound Name | Annulatin |
| 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 | -3.244170133333333 |
| Inchi | InChI=1S/C16H12O8/c1-23-16-14(22)12-8(18)4-7(17)5-11(12)24-15(16)6-2-9(19)13(21)10(20)3-6/h2-5,17-21H,1H3 |
| Smiles | COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Diospyros Kaki (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Goniothalamus Thwaitesii (Plant) Rel Props:Source_db:cmaup_ingredients