Stellarine B
PubChem CID: 53322155
Connections displayed (default: 10).
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| Compound Synonyms | Stellarine B, CHEBI:70225, Stellarines B, CHEMBL1651331, Q27138565 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-3-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C18H15N3O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJECFLWSXCNVMR-FPLPWBNLSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.188 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.298 |
| Compound Name | Stellarine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.106 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 337.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.488977000000001 |
| Inchi | InChI=1S/C18H15N3O4/c1-10(22)16-17-12(11-5-3-4-6-13(11)20-17)9-14(21-16)18(24)19-8-7-15(23)25-2/h3-9,20H,1-2H3,(H,19,24)/b8-7- |
| Smiles | CC(=O)C1=C2C(=CC(=N1)C(=O)N/C=C\C(=O)OC)C3=CC=CC=C3N2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actiniopteris Dichotoma (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aganosma Dichotoma (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Barleria Dichotoma (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ceropegia Dichotoma (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cordia Dichotoma (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Echites Dichotoma (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Fimbristylis Dichotoma (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hoppea Dichotoma (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Hyphaene Dichotoma (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Iris Dichotoma (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Stellaria Alsine (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Stellaria Aquatica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Stellaria Dichotoma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Stellaria Holostea (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Synapis Dichotoma (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Tabernaemontana Dichotoma (Plant) Rel Props:Reference: