4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-3,5,14-triene
PubChem CID: 5319776
Connections displayed (default: 10).
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| Topological Polar Surface Area | 30.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 594.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-3,5,14-triene |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C20H29NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RBHHHGGATPLHFO-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.782 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.97 |
| Compound Name | 4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-3,5,14-triene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 331.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 331.215 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 331.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.001127200000001 |
| Inchi | InChI=1S/C20H29NO3/c1-22-16-7-6-15-8-10-21-9-4-5-14-11-18(23-2)19(24-3)12-17(14)20(15,21)13-16/h6,11-12,14,16-17H,4-5,7-10,13H2,1-3H3 |
| Smiles | COC1CC=C2CCN3C2(C1)C4C=C(C(=CC4CCC3)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients