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Browse PrenDB
Predict
Concept
PTDBREP00314
Curate
Reaction
PTDBREC00314
Enzyme
PTDBENZ00010
Reference
PTDBDOC00033
Depth 2
Depth
2
Size
6
Atom
2
ID
PTDBDEP01253
Smiles
cccc(c)O
Smarts
[#6]:[#6]:[#6]:[#6](-[#8]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cccc(c)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(CC=C(C)C)c(c)O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6]:[#6](-[#8]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6](:[#6]:[#6]):[#6](:[#6])-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
8
Atom
3
ID
PTDBDEP01254
Smiles
Cc1ccc(O)cc1
Smarts
[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Cc1ccc(O)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc(C)ccc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6]:[#6]:1-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
9
Atom
4
ID
PTDBDEP01255
Smiles
CCc1ccc(O)cc1
Smarts
[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
CCc1ccc(O)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1ccc(O)c(CC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]-[#6]):[#6]:[#6]:[#6]:1-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
10
Atom
5
ID
PTDBDEP01256
Smiles
CCCc1ccc(O)cc1
Smarts
[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
CCCc1ccc(O)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCCc1ccc(O)c(CC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]-[#6]-[#6]):[#6]:[#6]:[#6]:1-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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