Chandrananimycin D
PubChem CID: 46939591
Connections displayed (default: 10).
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| Compound Synonyms | Chandrananimycin D, Chandrananomycin D, 2-hydroxy-N-[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide, 2-hydroxy-N-(8-(hydroxymethyl)-3-oxophenoxazin-2-yl)acetamide, 2-Hydroxy-N-(8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl)ethanimidate, 2-Hydroxy-N-[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]ethanimidate, CHEMBL1224595, CHEBI:227767 |
|---|---|
| Topological Polar Surface Area | 108.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-hydroxy-N-[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C15H12N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OQMHQWLKGNKBET-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -6.114 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.785 |
| Compound Name | Chandrananimycin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.075 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.075 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H12N2O5/c18-6-8-1-2-13-10(3-8)16-11-4-9(17-15(21)7-19)12(20)5-14(11)22-13/h1-5,18-19H,6-7H2,(H,17,21) |
| Smiles | C1=CC2=C(C=C1CO)N=C3C=C(C(=O)C=C3O2)NC(=O)CO |
| 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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Andropogon Nardus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clibadium Pentaneuron (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Croton Sparsiflorus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Dendrobium Rotundatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Eriostemon Fitzgeraldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Espeletia Marcana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Malva Crispa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Neoalsomitra Integrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 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;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Picrorhiza Kurrooa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Piptolepis Leptospermoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Toxicodendron Succedaneum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Weddellina Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all