Griffithinam
PubChem CID: 5317823
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| Compound Synonyms | Griffithinam, 240122-32-1, Uvarilactam, 15-hydroxy-6,14-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one, Gonioffithine, 1-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-one, Cheliensisame A, Gonioffithine I, Griffithinam, CHEBI:229133, DTXSID601227487, AKOS040735245, 1-Hydroxy-2,7-dimethoxydibenz[cd,f]indol-4(5H)-one, 1-Hydroxy-2,7-dimethoxydibenzo[cd,f]indol-4(5H)-one |
|---|---|
| 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 | 15-hydroxy-6,14-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 | QKAHURDEAZTVNH-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.853 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.882 |
| Compound Name | Griffithinam |
| 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/c1-21-12-5-3-4-8-9(12)6-11-14-10(17(20)18-11)7-13(22-2)16(19)15(8)14/h3-7,19H,1-2H3,(H,18,20) |
| Smiles | COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)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 Goniothalamus Griffithii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hura Crepitans (Plant) Rel Props:Source_db:cmaup_ingredients