Splendidine
PubChem CID: 196452
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| Compound Synonyms | Splendidine, 68353-25-3, 12,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one, 1,2,4-trimethoxy-7H-dibenzo[de,g]quinolin-7-one, DTXSID70218493, 7H-dibenzo[de,g]quinolin-7-one, 1,2,4-trimethoxy-, InChI=1/C19H15NO4/c1-22-13-8-12-14(23-2)9-20-17-15(12)16(19(13)24-3)10-6-4-5-7-11(10)18(17)21/h4-9H,1-3H |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTFPZTCBZNFIPH-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -5.602 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.93 |
| Compound Name | Splendidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 321.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 321.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.326291733333334 |
| Inchi | InChI=1S/C19H15NO4/c1-22-13-8-12-14(23-2)9-20-17-15(12)16(19(13)24-3)10-6-4-5-7-11(10)18(17)21/h4-9H,1-3H3 |
| Smiles | COC1=C(C2=C3C(=C1)C(=CN=C3C(=O)C4=CC=CC=C42)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients