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Browse PrenDB
Predict
Concept
PTDBREP00631
Curate
Reaction
PTDBREC00631
Enzyme
PTDBENZ00007
Reference
PTDBDOC00044
Depth 2
Depth
2
Size
4
Atom
2
ID
PTDBDEP02521
Smiles
cc(c)O
Smarts
[#6]:[#6](-[#8]):[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
cc(c)O.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(c)OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6](-[#8]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 3
Depth
3
Size
6
Atom
3
ID
PTDBDEP02522
Smiles
ccc(O)cc
Smarts
[#6]:[#6]:[#6](-[#8]):[#6]:[#6]
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
ccc(O)cc.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>ccc(cc)OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6](-[#8]):[#6]:[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]:[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 4
Depth
4
Size
7
Atom
4
ID
PTDBDEP02523
Smiles
Oc1ccccc1
Smarts
[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1
×
Predict prenylability of a molecule
Molecule
*
SMILES
Reaction smiles
Oc1ccccc1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>c1ccc(COc2ccccc2)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1:[#6]:[#6]:[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth 5
Depth
5
Size
8
Atom
5
ID
PTDBDEP02524
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.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Cc1ccc(OCc2ccccc2)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
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