16-Methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8,12(20),13,16-hexaene-15,18-dione
PubChem CID: 100927180
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.099 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 764.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8,12(20),13,16-hexaene-15,18-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C19H15NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FZHZTVYSZFTJOV-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.672 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.592 |
| Compound Name | 16-Methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8,12(20),13,16-hexaene-15,18-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 337.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 337.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.120352200000001 |
| Inchi | InChI=1S/C19H15NO5/c1-20-4-3-9-5-14-19(25-8-24-14)17-15(9)11(20)6-10-16(17)12(21)7-13(23-2)18(10)22/h3,6-7H,4-5,8H2,1-2H3 |
| Smiles | CN1CC=C2CC3=C(C4=C5C(=CC1=C24)C(=O)C(=CC5=O)OC)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients