3,16-Dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one
PubChem CID: 5316478
Connections displayed (default: 10).
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ABMKGESNDNGXSF-UHFFFAOYSA-N |
| Fcsp3 | 0.55 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | 3,16-Dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 357.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 357.158 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 650.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 357.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.6129864307692316 |
| Inchi | InChI=1S/C20H23NO5/c1-21-7-6-19-10-15(23-2)13(22)9-20(19,21)5-4-12-8-14-17(26-11-25-14)18(24-3)16(12)19/h8,10H,4-7,9,11H2,1-3H3 |
| Smiles | CN1CCC23C1(CCC4=CC5=C(C(=C42)OC)OCO5)CC(=O)C(=C3)OC |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H23NO5 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients