14,15-Dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,14-tetraene-16,19-dione
PubChem CID: 5320322
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 719.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14,15-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,14-tetraene-16,19-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C20H21NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TYRCFOVJFBOYRA-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.043 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.428 |
| Compound Name | 14,15-Dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.5.3.01,13.02,10.04,8]icosa-2,4(8),9,14-tetraene-16,19-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.137 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8554562444444453 |
| Inchi | InChI=1S/C20H21NO6/c1-21-12-4-10-5-14-15(27-9-26-14)6-11(10)20(8-16(21)23)7-13(22)18(24-2)19(25-3)17(12)20/h5-6,12,17H,4,7-9H2,1-3H3 |
| Smiles | CN1C2CC3=CC4=C(C=C3C5(C2C(=C(C(=O)C5)OC)OC)CC1=O)OCO4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients