4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-16-ol
PubChem CID: 5316553
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| Topological Polar Surface Area | 51.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| 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-2,4,6,14-tetraen-16-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C20H27NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZBIQTIQJLXNQFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.394 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.201 |
| Compound Name | 4,5,17-Trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraen-16-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 345.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 345.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 345.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9441218000000005 |
| Inchi | InChI=1S/C20H27NO4/c1-23-17-9-13-5-4-7-21-8-6-14-10-16(22)19(25-3)12-20(14,21)15(13)11-18(17)24-2/h9-11,16,19,22H,4-8,12H2,1-3H3 |
| Smiles | COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients