Pisonin A
PubChem CID: 53356511
Connections displayed (default: 10).
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| Compound Synonyms | Pisonin A, CHEBI:67358, CHEMBL1802140, 5-hydroxy-6,7-dimethoxychromone, DTXSID501244163, 5-hydroxy-6,7-dimethoxy-chromen-4-one, 5-hydroxy-6,7-dimethoxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-, Q27135815, 1307255-83-9 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZBKMZJFKYGNON-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.178 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.321 |
| Compound Name | Pisonin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7749151999999997 |
| Inchi | InChI=1S/C11H10O5/c1-14-8-5-7-9(6(12)3-4-16-7)10(13)11(8)15-2/h3-5,13H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=O)C=COC2=C1)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lantana Aculeata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Meconopsis Aculeata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Parkinsonia Aculeata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Pereskia Aculeata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pisonia Grandis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Pisonia Morindifolia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Pisonia Umbellifera (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Stephania Aculeata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Strychnos Aculeata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Toddalia Aculeata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Volkameria Aculeata (Plant) Rel Props:Reference: