ID | 1170 |
Name | Anonaine |
Pubchem ID | 160597 |
KEGG ID | C09339 |
Source | Annona reticulata |
Type | Natural |
Function | Antimicrobial |
Drug Like Properties | Yes |
Molecular Weight | 265.31 |
Exact mass | 265.110279 |
Molecular formula | C17H15NO2 |
XlogP | 2.8 |
Topological Polar Surface Area | 30.5 |
H-Bond Donor | 1 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 1178 |
Name | Anonaine |
Pubchem ID | 160597 |
KEGG ID | C09339 |
Source | Annona reticulata |
Type | Natural |
Function | Smooth muscle relaxant |
Drug Like Properties | Yes |
Molecular Weight | 265.31 |
Exact mass | 265.110279 |
Molecular formula | C17H15NO2 |
XlogP | 2.8 |
Topological Polar Surface Area | 30.5 |
H-Bond Donor | 1 |
H-Bond Acceptor | 3 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Isomeric SMILE | C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5 |
Drugpedia | wiki |
References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
ID | 2187 |
Name | Glaucine |
Pubchem ID | 16754 |
KEGG ID | C09446 |
Source | Annona reticulata |
Type | Natural |
Function | Antitussive |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.4 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2216 |
Name | Glaucine |
Pubchem ID | 16754 |
KEGG ID | C09446 |
Source | Annona reticulata |
Type | Natural |
Function | Antioxidant |
Drug Like Properties | Yes |
Molecular Weight | 355.43 |
Exact mass | 355.178358 |
Molecular formula | C21H25NO4 |
XlogP | 3.4 |
Topological Polar Surface Area | 40.2 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC |
Drugpedia | wiki |
References | 1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2514 |
Name | Liriodenine |
Pubchem ID | 10144 |
KEGG ID | C09567 |
Source | Annona reticulata |
Type | Natural |
Function | Antifungal |
Drug Like Properties | Yes |
Molecular Weight | 275.26 |
Exact mass | 275.058243 |
Molecular formula | C17H9NO3 |
XlogP | 3.4 |
Topological Polar Surface Area | 48.4 |
H-Bond Donor | 0 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 0 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3464 |
Name | Xylopine |
Pubchem ID | 160503 |
KEGG ID | C09670 |
Source | Annona reticulata |
Type | Natural |
Function | Analgesic |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.8 |
Topological Polar Surface Area | 39.7 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
Isomeric SMILE | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
Drugpedia | wiki |
References | 1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3476 |
Name | Xylopine |
Pubchem ID | 160503 |
KEGG ID | C09670 |
Source | Annona reticulata |
Type | Natural |
Function | Leishmanicidal |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.8 |
Topological Polar Surface Area | 39.7 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
Isomeric SMILE | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
Drugpedia | wiki |
References | 1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3488 |
Name | Xylopine |
Pubchem ID | 160503 |
KEGG ID | C09670 |
Source | Annona reticulata |
Type | Natural |
Function | Antiplatelet |
Drug Like Properties | Yes |
Molecular Weight | 295.33 |
Exact mass | 295.120843 |
Molecular formula | C18H17NO3 |
XlogP | 2.8 |
Topological Polar Surface Area | 39.7 |
H-Bond Donor | 1 |
H-Bond Acceptor | 4 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
Isomeric SMILE | COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
Drugpedia | wiki |
References | 1. Chang,Chim.Pharm.J.(Taipei),47,(1995),483 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |