Trisphaeridine
PubChem CID: 443684
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| Compound Synonyms | Trisphaeridine, Trispheridine, [1,3]Dioxolo[4,5-j]phenanthridine, 224-11-3, (1,3)Dioxolo(4,5-j)phenathridine, CHEMBL511443, CHEBI:32266, DTXSID10176927, 8,9-(Methylenedioxy)phenanthridine, Phenanthridine, 8,9-[methylenebis(oxy)]-, (1,3)Dioxolo(4,5-j)phenanthridine, Phenanthridine, 8,9-(methylenebis(oxy))-, AC1L9EZZ, DTXCID3099418, Q27114842 |
|---|---|
| Topological Polar Surface Area | 31.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | [1,3]dioxolo[4,5-j]phenanthridine |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C14H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RFILRSDHWIIIMN-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -5.086 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.082 |
| Compound Name | Trisphaeridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 223.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 223.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 223.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9061439647058824 |
| Inchi | InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)11-6-14-13(16-8-17-14)5-9(11)7-15-12/h1-7H,8H2 |
| Smiles | C1OC2=C(O1)C=C3C4=CC=CC=C4N=CC3=C2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Yemense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pancratium Maritimum (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ungernia Trisphaera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all