Bianfugenine
PubChem CID: 137399
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| Compound Synonyms | Bianfugenine, Dauriporphine, 88142-60-3, 4,5,6,9-Tetramethoxy-7H-dibenzo(de,h)quinolin-7-one, 5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, 7H-Dibenzo[de,h]quinolin-7-one, 4,5,6,9-tetramethoxy-, CHEBI:132719, DTXSID90236851, 4,5,6,9-tetramethoxy-7H-dibenzo[de,h]quinolin-7-one, 7H-Dibenzo(de,h)quinolin-7-one, 4,5,6,9-tetramethoxy-, 5,10,11,12-tetramethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, CHEMBL4214251, SCHEMBL12289184, DTXCID20159342, HY-N11029, AKOS040734156, DA-61659, CS-0638254 |
|---|---|
| Topological Polar Surface Area | 66.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C20H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OOWSNEKQIRVGCG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.19 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.965 |
| Compound Name | Bianfugenine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 351.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 351.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.200604215384616 |
| Inchi | InChI=1S/C20H17NO5/c1-23-10-5-6-11-13(9-10)17(22)15-14-12(7-8-21-16(11)14)18(24-2)20(26-4)19(15)25-3/h5-9H,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)OC)C2=O |
| Nring | 7.0 |
| 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