(2R)-4,7,8-trimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinoline
PubChem CID: 162863003
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-4,7,8-trimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CRZIVKNYPBMOSH-CYBMUJFWSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -4.172 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.35 |
| Compound Name | (2R)-4,7,8-trimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 301.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 301.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.136884036363636 |
| Inchi | InChI=1S/C17H19NO4/c1-9(2)13-8-11-15(20-4)10-6-7-12(19-3)16(21-5)14(10)18-17(11)22-13/h6-7,13H,1,8H2,2-5H3/t13-/m1/s1 |
| Smiles | CC(=C)[C@H]1CC2=C(C3=C(C(=C(C=C3)OC)OC)N=C2O1)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ageratina Saltillensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dictamnus Dasycarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Esenbeckia Hartmanii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Grewia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Salta Triflora (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Salvia Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Trifolium Montanum (Plant) Rel Props:Source_db:cmaup_ingredients