Platydesmine
PubChem CID: 6451457
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| Compound Synonyms | Platydesmine, 2824-86-4, DTXSID40182495, 2-[(2R)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol, Furo(2,3-b)quinoline-2-methanol, 2,3-dihydro-4-methoxy-alpha,alpha-dimethyl-, (R)-, 2-((2R)-4-methoxy-2,3-dihydrofuro(2,3-b)quinolin-2-yl)propan-2-ol, (+)-Platydesmine, CHEBI:80682, DTXCID50104986, Q27149723, Furo[2,3-b]quinoline-2-methanol, 2,3-dihydro-4-methoxy-.alpha.,.alpha.-dimethyl-, (2R)- |
|---|---|
| Topological Polar Surface Area | 51.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2R)-4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OYGWMFMSZPRSPD-GFCCVEGCSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.63 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.979 |
| Compound Name | Platydesmine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 259.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 259.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.280164684210526 |
| Inchi | InChI=1S/C15H17NO3/c1-15(2,17)12-8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)19-12/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1 |
| Smiles | CC(C)([C@H]1CC2=C(C3=CC=CC=C3N=C2O1)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Planispinum (Plant) Rel Props:Source_db:cmaup_ingredients