Pollenitin
PubChem CID: 44259965
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| Compound Synonyms | Pollenitin, 7-O-Methylherbacetin, 3,4',5,8-Tetrahydroxy-7-methoxyflavone, 24487-56-7, 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, CHEBI:169701, DTXSID001318478, LMPK12113153, 4',5,8-Trihydroxy-7-methoxyflavonol, 3,5,8,4'-tetrahydroxy-7-methoxy flavone, 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from the pollen of Camellia sinensis (tea). Pollenitin is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRODWQGSCHPDJK-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.726 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.03 |
| Synonyms | 3,4',5,8-Tetrahydroxy-7-methoxyflavone, 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one, 4',5,8-Trihydroxy-7-methoxyflavonol, 7-O-Methylherbacetin, Pollenitin |
| Compound Name | Pollenitin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 316.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.386925608695652 |
| Inchi | InChI=1S/C16H12O7/c1-22-10-6-9(18)11-13(20)14(21)15(23-16(11)12(10)19)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all