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Browse PrenDB
Predict
Concept
PTDBREP00220
Curate
Reaction
PTDBREC00220
Enzyme
PTDBENZ00011
Reference
PTDBDOC00023
Depth 2
Depth
2
Size
6
Atom
2
ID
PTDBDEP00877
Smiles
cccc(c)[nH]
Smarts
[#7H]:[#6](:[#6]:[#6]:[#6]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cccc(c)[nH].CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(C/C=C/C)c(c)[nH].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7H]:[#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](:[#7H]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
9
Atom
4
ID
PTDBDEP00878
Smiles
c1ccc2[nH]ccc2c1
Smarts
[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
c1ccc2[nH]ccc2c1.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/Cc1cccc2cc[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#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]:[#6]2:[#6]:[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
10
Atom
5
ID
PTDBDEP00879
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/Cc1cccc2c(C)c[nH]c12.[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]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
11
Atom
6
ID
PTDBDEP00880
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/Cc1cccc2c(CC)c[nH]c12.[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]:[#6]2:[#6](-[#6]-[#6H]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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