Bezerramycin C
PubChem CID: 46183340
Connections displayed (default: 10).
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| Compound Synonyms | Bezerramycin C, N-[1-cyano-8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide, N-(1-cyano-8-(hydroxymethyl)-3-oxophenoxazin-2-yl)acetamide, N-(1-Cyano-8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl)ethanimidate, N-[1-Cyano-8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]ethanimidate, CHEBI:203272 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 710.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[1-cyano-8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C16H11N3O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFOCUKZGFVPLEE-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.4 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.87 |
| Compound Name | Bezerramycin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.075 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.075 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 309.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H11N3O4/c1-8(21)18-15-10(6-17)16-14(5-12(15)22)23-13-3-2-9(7-20)4-11(13)19-16/h2-5,20H,7H2,1H3,(H,18,21) |
| Smiles | CC(=O)NC1=C(C2=NC3=C(C=CC(=C3)CO)OC2=CC1=O)C#N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Gigantea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Nolina Erumpens (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Petasites Niveus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients