Amurensinine
PubChem CID: 10958724
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| Compound Synonyms | Amurensinine, (1S,11R)-14,15-dimethoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaene, (-)-Amurensinine, (1S,11R)-14,15-dimethoxy-19-methyl-5,7-dioxa-19-azapentacyclo(9.7.2.02,10.04,8.012,17)icosa-2,4(8),9,12,14,16-hexaene, 10470-47-0 |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,11R)-14,15-dimethoxy-19-methyl-5,7-dioxa-19-azapentacyclo[9.7.2.02,10.04,8.012,17]icosa-2,4(8),9,12,14,16-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CHGJYZLWIIUFAG-CVEARBPZSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.455 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.905 |
| Compound Name | Amurensinine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 339.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 339.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1015242 |
| Inchi | InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1 |
| Smiles | CN1C[C@H]2C3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Meconopsis Horridula (Plant) Rel Props:Source_db:cmaup_ingredients