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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
|
596.50
|
-1
|
10
|
16
|
269.43
|
5
|
|
|
(2S)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
408.50
|
6.1
|
2
|
5
|
75.99
|
7
|
|
|
(2S)-5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
|
354.40
|
4.5
|
1
|
5
|
64.99
|
5
|
|
|
1-[7-Hydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-8-yl]ethanone
|
316.40
|
4.6
|
1
|
4
|
55.76
|
4
|
|
|
5-Hydroxy-7-(4-hydroxyphenyl)-10-(3-methoxy-3-methylbutyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
436.50
|
5
|
2
|
6
|
89.13
|
5
|
|
|
Lithosenine
|
415.50
|
-1.4
|
4
|
9
|
136.76
|
10
|
|
|
Acetyllythosenine
|
457.50
|
-0.8
|
3
|
10
|
142.83
|
12
|
|
|
[(1R,4R,4aR,8R,8aR)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate
|
426.60
|
5.7
|
2
|
4
|
66.76
|
8
|
|
|
[(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dienyl] acetate
|
262.40
|
4.5
|
0
|
2
|
26.3
|
7
|
|
|
[(3S,3aS,5aR,6S,9bS)-3,5a,9-trimethyl-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate
|
292.40
|
2.2
|
0
|
4
|
52.6
|
2
|
|
|
[(3S,3aS,5aR,6S,8S,9bS)-8-hydroxy-3,5a,9-trimethyl-2-oxo-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-6-yl] acetate
|
308.40
|
1.1
|
1
|
5
|
72.83
|
2
|
|
|
(2S)-2-[(1S)-1-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-5-methyl-2,3-dihydropyran-6-one
|
941.10
|
3.4
|
10
|
18
|
283.98
|
11
|
|
|
4H-1-Benzopyran-4-one, 6-[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-
|
592.50
|
-0.6
|
8
|
14
|
228.97
|
6
|
|
|
methyl (1R,9R,16S,18R,21R)-15-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
|
354.40
|
2
|
2
|
5
|
61.8
|
2
|
|
|
Gibberellin A92
|
346.40
|
0.1
|
3
|
6
|
104.06
|
1
|
|
|
(4S,4aS,7aS)-4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
|
198.22
|
-0.4
|
2
|
4
|
66.76
|
2
|
|
|
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E,3S)-3-methyl-7-oxooct-5-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
360.50
|
5.7
|
1
|
3
|
54.37
|
7
|
|
|
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-oxopent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
318.40
|
4.7
|
1
|
3
|
54.37
|
5
|
|
|
methyl (1S,4aR,5R,7S,8aR)-7-acetyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
392.50
|
4.2
|
1
|
5
|
72.83
|
8
|
|
|
methyl (1S,4aR,5S,8aR)-5-[(3S)-4-hydroxy-3-methylbutyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
322.50
|
4.7
|
1
|
3
|
46.53
|
6
|
|
|
(1R,2R,4aR,5S,8aS)-1-[2-(furan-3-yl)ethyl]-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
320.50
|
4
|
2
|
3
|
53.6
|
4
|
|
|
(1S,4aS,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-1,4a,6-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
|
362.50
|
4.6
|
1
|
4
|
63.6
|
7
|
|
|
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
|
466.70
|
7.8
|
1
|
4
|
55.76
|
10
|
|
|
(1S,2S,6R,7R,10S,11S,13R)-2,6-dimethyl-13-propan-2-yl-12,16-dioxapentacyclo[8.5.1.01,10.02,7.011,13]hexadecane-6-carboxylic acid
|
334.40
|
3.3
|
1
|
4
|
62.36
|
2
|
|
|
(1S,2S,5S,6R,11S,12S,14S,15R,18R,20S)-11,14-bis(hydroxymethyl)-8,8,15,19,19-pentamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-16-ene-5,12-diol
|
488.70
|
4.9
|
4
|
5
|
90.15
|
2
|
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