13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.2~11,14~)triacontane-3,16-dione
PubChem CID: 103019
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| Compound Synonyms | 13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione, 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione, 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.2~11,14~)triacontane-3,16-dione, 13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.211,14)triacontane-3,16-dione, DTXSID20871890, PD143306, 12,25-Diaza-13,26-dimethyl-2,15-dioxatricyclo[22.2.2.2<11,14>]triacontane-3,16-dione |
|---|---|
| Topological Polar Surface Area | 76.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | AMSCMASJCYVAIF-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Heavy Atom Count | 34.0 |
| Compound Name | 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.2~11,14~)triacontane-3,16-dione |
| Kingdom | Organic compounds |
| Description | Alkaloid from leaves of Carica papaya (papaya) Carpaine is one of the major alkaloid components of papaya leaves which has been studied for its cardiovascular effects. Circulatory effects of carpaine were studied in Wistar male rats weighing 314 +/- 13 g, under pentobarbital (30 mg/kg) anesthesia. Increasing dosages of carpaine from 0.5 mg/kg to 2.0 mg/kg resulted in progressive decrease in systolic, diastolic, and mean arterial blood pressure. Selective autonomic nervous blockade with atropine sulfate (1 mg/kg) or propranolol hydrochloride (8 mg/kg) did not alter the circulatory response to carpaine. Carpaine, 2 mg/kg, reduced cardiac output, stroke volume, stroke work, and cardiac power, but the calculated total peripheral resistance remained unchanged. It is concluded from these results that carpaine affects the myocardium directly. The effects of carpaine may be related to its macrocyclic dilactone structure, a possible cation chelating structure. Carpaine is found in papaya, fruits, and fenugreek. |
| Exact Mass | 478.377 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.377 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione |
| Total Atom Stereocenter Count | 6.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Macrolides and analogues |
| Inchi | InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3 |
| Smiles | CC1C2CCC(N1)CCCCCCCC(=O)OC3CCC(CCCCCCCC(=O)O2)NC3C |
| Xlogp | 6.3 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Macrolides and analogues |
| Molecular Formula | C28H50N2O4 |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all