Quinosuaveoline B
PubChem CID: 25157869
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Quinosuaveoline B, 2-[(6R)-17-methoxy-4,7,13-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,14,16-hexaen-6-yl]propan-2-ol, 2-((6R)-17-methoxy-4,7,13-trioxa-11-azatetracyclo(8.7.0.03,8.012,16)heptadeca-1,3(8),9,11,14,16-hexaen-6-yl)propan-2-ol, CHEMBL574554, 1105671-16-6 |
|---|---|
| Topological Polar Surface Area | 74.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(6R)-17-methoxy-4,7,13-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,14,16-hexaen-6-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H17NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OXDIHTWLYDWMMZ-CQSZACIVSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.559 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.913 |
| Compound Name | Quinosuaveoline B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 315.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 315.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 315.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7255758695652172 |
| Inchi | InChI=1S/C17H17NO5/c1-17(2,19)14-8-22-12-6-10-11(7-13(12)23-14)18-16-9(4-5-21-16)15(10)20-3/h4-7,14,19H,8H2,1-3H3/t14-/m1/s1 |
| Smiles | CC(C)([C@H]1COC2=C(O1)C=C3C(=C2)C(=C4C=COC4=N3)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oricia Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients