14,15,16-Trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
PubChem CID: 11210309
Connections displayed (default: 10).
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| Topological Polar Surface Area | 65.099 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 581.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCRCWNWYSVULNX-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -6.031 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.634 |
| Compound Name | 14,15,16-Trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 351.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.111 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 351.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.304181138461539 |
| Inchi | InChI=1S/C20H17NO5/c1-21-12-9-10-7-5-6-8-11(10)13-14(12)15(16(22)20(21)23)18(25-3)19(26-4)17(13)24-2/h5-9H,1-4H3 |
| Smiles | CN1C2=CC3=CC=CC=C3C4=C2C(=C(C(=C4OC)OC)OC)C(=O)C1=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients