Goniothalactam
PubChem CID: 10447198
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| Compound Synonyms | goniothalactam, 4-hydroxy-14,15-dimethoxy-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one, 4-hydroxy-14,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one, CHEMBL228081, 204975-46-2 |
|---|---|
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-14,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDPCZNQWXHKYPJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -6.245 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.895 |
| Compound Name | Goniothalactam |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.084 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 295.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.28403189090909 |
| Inchi | InChI=1S/C17H13NO4/c1-21-13-7-11-14-12(18-17(11)20)5-8-3-4-9(19)6-10(8)15(14)16(13)22-2/h3-7,19H,1-2H3,(H,18,20) |
| Smiles | COC1=C(C2=C3C=C(C=CC3=CC4=C2C(=C1)C(=O)N4)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fissistigma Balansae (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Fissistigma Oldhamii (Plant) Rel Props:Source_db:cmaup_ingredients