Tegerrardin A
PubChem CID: 16220278
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | TEGERRARDIN A, 28333-06-4, CHEMBL1095073, XT163683, 3-hydroxy-1-methoxy-10-methylacridin-9-one |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-hydroxy-1-methoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFEDIXBJQROJES-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.48 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.284 |
| Compound Name | Tegerrardin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 255.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.277055757894737 |
| Inchi | InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(17)8-13(14)19-2/h3-8,17H,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Teclea Gerrardii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all