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Browse PrenDB
Predict
Concept
PTDBREP00204
Curate
Reaction
PTDBREC00204
Enzyme
PTDBENZ00009
Reference
PTDBDOC00023
Depth 2
Depth
2
Size
5
Atom
2
ID
PTDBDEP00813
Smiles
ccccc
Smarts
[#6]:[#6]:[#6]:[#6]:[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
ccccc.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(cc)C/C=C/C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6]:[#6]:[#6].[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#6](:[#6]:[#6]):[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
7
Atom
5
ID
PTDBDEP00814
Smiles
cc1ccccc1
Smarts
[#6]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cc1ccccc1.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cccc(C/C=C/C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
10
Atom
7
ID
PTDBDEP00815
Smiles
Cc1c[nH]c2ccccc12
Smarts
[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Cc1c[nH]c2ccccc12.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/Cc1ccc2[nH]cc(C)c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]):[#6]:2:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
11
Atom
8
ID
PTDBDEP00816
Smiles
CCc1c[nH]c2ccccc12
Smarts
[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
CCc1c[nH]c2ccccc12.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/Cc1ccc2[nH]cc(CC)c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H]):[#6]:2:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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