3-(4-Hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one
PubChem CID: 73074609
Connections displayed (default: 10).
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| Topological Polar Surface Area | 83.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | GEJUXZYANAYHRZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | Moschamindole |
| Heavy Atom Count | 26.0 |
| Compound Name | 3-(4-Hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one |
| Description | Isolated from safflower meal (Carthamus tinctorius). Moschamindole is found in safflower, fats and oils, and herbs and spices. |
| Exact Mass | 350.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.127 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24) |
| Smiles | COC1=C(C=CC(=C1)C2C3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H18N2O4 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all