Myrtifoline
PubChem CID: 163184271
Connections displayed (default: 10).
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| Compound Synonyms | Myrtifoline |
|---|---|
| Topological Polar Surface Area | 74.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-4-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-2-methylbut-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PCTXHEDYCDEQAQ-WDZFZDKYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -0.552 |
| Rotatable Bond Count | 6.0 |
| Logd | -1.8 |
| Compound Name | Myrtifoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 329.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8335157333333343 |
| Inchi | InChI=1S/C18H19NO5/c1-11(10-20)6-8-23-14-5-4-12-15(17(14)22-3)19-18-13(7-9-24-18)16(12)21-2/h4-7,9,20H,8,10H2,1-3H3/b11-6- |
| Smiles | C/C(=C/COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)/CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euonymus Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ficus Conraui (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vicia Balansae (Plant) Rel Props:Source_db:cmaup_ingredients