7-Oxohernagine
PubChem CID: 500430
Connections displayed (default: 10).
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| Compound Synonyms | 7-Oxohernagine, hydroxy(trimethoxy)[?]one, 7H-Dibenzo[de,g]quinolin-7-one, 10-hydroxy-1,2,11-trimethoxy- |
|---|---|
| Topological Polar Surface Area | 77.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 514.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-3,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCDNFJJWLKOWBV-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.395 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.509 |
| Compound Name | 7-Oxohernagine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 337.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1789522 |
| Inchi | InChI=1S/C19H15NO5/c1-23-12-8-9-6-7-20-16-13(9)15(19(12)25-3)14-10(17(16)22)4-5-11(21)18(14)24-2/h4-8,21H,1-3H3 |
| Smiles | COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chukrasia Tabularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lindera Chunii (Plant) Rel Props:Source_db:cmaup_ingredients