8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 9,10-dimethoxy-
PubChem CID: 3084713
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| Compound Synonyms | Oxocrebanine, oxocreabanine, 38826-42-5, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 9,10-dimethoxy-, 15,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one, Oxocrebanin, DTXSID20192097, HY-N9356, AKOS040734968, DA-76515, CS-0159517, 8H-Benzo[g][1,3]benzodioxolo[6,5,4-de]quinolin-8-one |
|---|---|
| Topological Polar Surface Area | 66.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H13NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRMACEXMVLHBJQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -6.149 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.81 |
| Compound Name | 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 9,10-dimethoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 335.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 335.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 335.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.358453000000001 |
| Inchi | InChI=1S/C19H13NO5/c1-22-11-4-3-10-14-13-9(7-12-19(14)25-8-24-12)5-6-20-16(13)17(21)15(10)18(11)23-2/h3-7H,8H2,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)C3=C4C(=CC5=C3OCO5)C=CN=C4C2=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ardisia Hortorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Doronicum Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Characias (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lithocarpus Haipinii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Oxytropis Lanata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Populus Balsamifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Sphaerophysa Salsula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Strychnos Gossweileri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all