1,2-Methylenedioxynoraporphine
PubChem CID: 3462225
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| Compound Synonyms | CHEMBL37533, 1,2-Methylenedioxynoraporphine, SCHEMBL15800852, ACon1_001472, BAA86241, NCGC00180471-01 |
|---|---|
| Topological Polar Surface Area | 30.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Description | Alkaloid from Annona muricata (soursop) and Nelumbo nucifera (East India lotus). Anonaine is found in many foods, some of which are sugar apple, sacred lotus, fruits, and custard apple. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene |
| Prediction Hob | 1.0 |
| Class | Aporphines |
| Xlogp | 2.8 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C17H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VZTUKBKUWSHDFM-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.232 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.737 |
| Synonyms | (-)-annonaine, 1,2-Methylenedioxynoraporphine, Anonain, Anonaine, (-)-Annonaine |
| Compound Name | 1,2-Methylenedioxynoraporphine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 265.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7118344 |
| Inchi | InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2 |
| Smiles | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aporphines |
- 1. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Annona Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artabotrys Uncinatus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all