Artabonatine D
PubChem CID: 11088112
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| Compound Synonyms | Artabonatine D, 12,16-Dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),12,14-heptaene-8,11-dione, 12,16-dimethoxy-10-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2,4,6,9(17),12,14-heptaene-8,11-dione, 368422-65-5 |
|---|---|
| Topological Polar Surface Area | 64.599 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 738.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),12,14-heptaene-8,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C18H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CXPABOHANFIQBK-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.997 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.604 |
| Compound Name | Artabonatine D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.084 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.320524008695652 |
| Inchi | InChI=1S/C18H13NO4/c1-22-12-8-7-11-14-13(12)9-5-3-4-6-10(9)16(20)15(14)19-18(21)17(11)23-2/h3-8H,1-2H3,(H,19,21) |
| Smiles | COC1=C2C3=CC=CC=C3C(=O)C4=C2C(=C(C(=O)N4)OC)C=C1 |
| 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