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 |
| Heavy Atom Count | 34.0 |
| 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| 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 |
| Nih Violation | False |
| Class | Macrolides and analogues |
| Xlogp | 6.3 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Molecular Formula | C28H50N2O4 |
| Inchi Key | AMSCMASJCYVAIF-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Compound Name | 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo(22.2.2.2~11,14~)triacontane-3,16-dione |
| Kingdom | Organic compounds |
| Exact Mass | 478.377 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 478.377 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Macrolides and analogues |
- 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