Sanguinarine pseudobase
PubChem CID: 14313843
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| Compound Synonyms | Sanguinarine pseudobase, 8-Hydroxydihydrosanguinarine, CHEMBL1921809, 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-ol |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C20H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZRQUTZNTDAYPJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -6.05 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.299 |
| Compound Name | Sanguinarine pseudobase |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 349.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 349.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 349.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.710405015384616 |
| Inchi | InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3 |
| Smiles | CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients