Rubber, natural-smoked sheet and latex solids (hevea brasiliensis)
PubChem CID: 9374
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| Compound Synonyms | Rubber, natural-smoked sheet and latex solids (hevea brasiliensis), 5-[(aminooxy)methyl]-2-bromophenyl dihydrogen phosphate, 306-10-5, SCHEMBL10914171, DTXSID70274493 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Description | Rubber, natural-smoked sheet and latex solids (hevea brasiliensis) is a member of the class of compounds known as phenyl phosphates. Phenyl phosphates are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group. Rubber, natural-smoked sheet and latex solids (hevea brasiliensis) is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Rubber, natural-smoked sheet and latex solids (hevea brasiliensis) can be found in a number of food items such as sapodilla, fig, chicory, and common salsify, which makes rubber, natural-smoked sheet and latex solids (hevea brasiliensis) a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [5-(aminooxymethyl)-2-bromophenyl] dihydrogen phosphate |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | -2.4 |
| Is Pains | False |
| Molecular Formula | C7H9BrNO5P |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXTCJRIXRVJTPP-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Rotatable Bond Count | 4.0 |
| Synonyms | Brocresine dihydrogen phosphate |
| Compound Name | Rubber, natural-smoked sheet and latex solids (hevea brasiliensis) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.94 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 296.94 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 298.03 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.19517979999999996 |
| Inchi | InChI=1S/C7H9BrNO5P/c8-6-2-1-5(4-13-9)3-7(6)14-15(10,11)12/h1-3H,4,9H2,(H2,10,11,12) |
| Smiles | C1=CC(=C(C=C1CON)OP(=O)(O)O)Br |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cichorium Endivia (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Manilkara Zapota (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Tragopogon Porrifolius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all