N-Methoxycarbonylanonaine
PubChem CID: 85249564
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| Compound Synonyms | N-Methoxycarbonylanonaine, CHEBI:174352, methyl 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate |
|---|---|
| Topological Polar Surface Area | 48.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | XBZPCDCYDZGHSV-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | N-Methoxycarbonylanonaine, Romucosine |
| Heavy Atom Count | 24.0 |
| Compound Name | N-Methoxycarbonylanonaine |
| Description | Alkaloid from fresh unripe fruits of Rollinia mucosa (biriba). N-Methoxycarbonylanonaine is found in cherimoya, alcoholic beverages, and fruits. |
| Exact Mass | 323.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 323.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene-11-carboxylate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C19H17NO4/c1-22-19(21)20-7-6-12-9-15-18(24-10-23-15)17-13-5-3-2-4-11(13)8-14(20)16(12)17/h2-5,9,14H,6-8,10H2,1H3 |
| Smiles | COC(=O)N1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3 |
| Xlogp | 3.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H17NO4 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Source_db:fooddb_chem_all