Bianfugecine
PubChem CID: 126021
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| Compound Synonyms | Bianfugecine, 5,9-Dimethoxy-7H-dibenzo(de,h)quinoline-7-one, 96681-50-4, DTXSID80242385, 7H-Dibenzo(de,h)quinolin-7-one, 5,9-dimethoxy-, 5,11-dimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one, 5,11-dimethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one, DTXCID80164876 |
|---|---|
| Topological Polar Surface Area | 48.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,11-dimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLIWOPDNTUVPQD-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -6.303 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.265 |
| Compound Name | Bianfugecine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 291.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.080879018181818 |
| Inchi | InChI=1S/C18H13NO3/c1-21-11-3-4-13-14(8-11)18(20)15-9-12(22-2)7-10-5-6-19-17(13)16(10)15/h3-9H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3=NC=CC4=CC(=CC(=C43)C2=O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients