16-Methoxy-13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene
PubChem CID: 10313983
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-methoxy-13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ASTGNJYKPPDKTL-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -6.233 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.37 |
| Compound Name | 16-Methoxy-13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 321.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 321.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4423312 |
| Inchi | InChI=1S/C20H19NO3/c1-20(2)14-9-12(22-3)4-5-13(14)17-16-11(6-7-21-19(16)20)8-15-18(17)24-10-23-15/h4-5,8-9H,6-7,10H2,1-3H3 |
| Smiles | CC1(C2=C(C=CC(=C2)OC)C3=C4C1=NCCC4=CC5=C3OCO5)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Spectabilis (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Sikkimensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Podocarpus Nubigenus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all