ID | 1250 |
Name | Atherospermidine |
Pubchem ID | 77514 |
KEGG ID | C09347 |
Source | Artabotrys uncinatus |
Type | Natural |
Function | Cytotoxic |
Drug Like Properties | Yes |
Molecular Weight | 305.28 |
Exact mass | 305.068808 |
Molecular formula | C18H11NO4 |
XlogP | 3.4 |
Topological Polar Surface Area | 57.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 1 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C2C(=C3C4=CC=CC=C4C(=O)C5=NC=CC1=C35)OCO2 |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Wu,Phytochem.,28,(1989),2191 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2312 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Artabotrys uncinatus |
Type | Natural |
Function | Calcium channel blocker |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Drugpedia | wiki |
References | 1. Hsieh,J.Nat.Prod.,64,(2001),1157 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2359 |
Name | Isocorydine |
Pubchem ID | 10143 |
KEGG ID | C09549 |
Source | Artabotrys uncinatus |
Type | Natural |
Function | Sedative |
Drug Like Properties | Yes |
Molecular Weight | 341.40 |
Exact mass | 341.162708 |
Molecular formula | C20H23NO4 |
XlogP | 2.6 |
Topological Polar Surface Area | 51.2 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 3 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC |
Drugpedia | wiki |
References | 1. Hsieh,J.Nat.Prod.,64,(2001),1157 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 2516 |
Name | Liriodenine |
Pubchem ID | 10144 |
KEGG ID | C09567 |
Source | Artabotrys uncinatus |
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. Wu,Phytochem.,28,(1989),2191 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3051 |
Name | Reticuline |
Pubchem ID | 10233 |
KEGG ID | C12328 |
Source | Artabotrys uncinatus |
Type | Natural |
Function | Dopamine Antagonist |
Drug Like Properties | Yes |
Molecular Weight | 329.39 |
Exact mass | 329.162708 |
Molecular formula | C19H23NO4 |
XlogP | 3 |
Topological Polar Surface Area | 62.2 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Hsieh,J.Nat.Prod.,64,(2001),1157 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |
ID | 3118 |
Name | Salutaridine |
Pubchem ID | 5408233 |
KEGG ID | C05179 |
Source | Artabotrys uncinatus |
Type | Natural |
Function | Anticancer |
Drug Like Properties | Yes |
Molecular Weight | 327.37 |
Exact mass | 327.147058 |
Molecular formula | C19H21NO4 |
XlogP | 1.9 |
Topological Polar Surface Area | 59 |
H-Bond Donor | 1 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 2 |
IUPAC Name | N/A |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)OC |
Isomeric SMILE | CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC |
Drugpedia | wiki |
References | 1. Hsieh,J.Nat.Prod.,64,(2001),1157 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |