Penicidone C
PubChem CID: 24761002
Connections displayed (default: 10).
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| Compound Synonyms | Penicidone C, CHEBI:217148, methyl 3,5-dimethoxy-2-[4-oxo-6-[(E)-prop-1-enyl]-1H-pyridine-3-carbonyl]benzoate |
|---|---|
| Topological Polar Surface Area | 90.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3,5-dimethoxy-2-[4-oxo-6-[(E)-prop-1-enyl]-1H-pyridine-3-carbonyl]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C19H19NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPAOKPNCSUMTKK-AATRIKPKSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.953 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.726 |
| Compound Name | Penicidone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 357.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 357.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 357.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.272482861538462 |
| Inchi | InChI=1S/C19H19NO6/c1-5-6-11-7-15(21)14(10-20-11)18(22)17-13(19(23)26-4)8-12(24-2)9-16(17)25-3/h5-10H,1-4H3,(H,20,21)/b6-5+ |
| Smiles | C/C=C/C1=CC(=O)C(=CN1)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Arabidopsis Lyrata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Betula Davurica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cajanus Cajan (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euphorbia Aellenii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ipomoea Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Liabum Bourgeaui (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pluchea Sericea (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Poterium Sanguisorba (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Pristimera Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Prunus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Quercus Variabilis (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Sinocrassula Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Thapsia Transtagana (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Thryptomene Kochii (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Uncaria Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Valeriana Cardamines (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Viburnum Rhytidophyllum (Plant) Rel Props:Source_db:cmaup_ingredients