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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-4-[(2R)-9-[(2S,5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxynonyl]-2-methyl-2H-furan-5-one
|
638.90
|
8.2
|
4
|
8
|
125.68
|
25
|
|
|
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
|
204.35
|
5.4
|
0
|
0
|
0
|
4
|
|
|
3-[(8Z,11Z)-hexadeca-8,11-dienyl]-5-methylidenefuran-2-one
|
316.50
|
7.6
|
0
|
2
|
26.3
|
13
|
|
|
3-[(Z)-hexadec-8-enyl]-5-methylidenefuran-2-one
|
318.50
|
8.3
|
0
|
2
|
26.3
|
14
|
|
|
(Z)-2-[2-[(1R,6R,7S,10R,11S,13R)-11-hydroxy-10-methoxy-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-7-yl]ethyl]but-2-ene-1,4-diol
|
366.50
|
1.8
|
3
|
5
|
79.15
|
6
|
|
|
(10E)-1-oxacycloicos-10-en-2-one
|
294.50
|
7.1
|
0
|
2
|
26.3
|
0
|
|
|
(2R,3R)-3-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
|
256.25
|
1.9
|
1
|
4
|
63.6
|
1
|
|
|
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(1-hydroxyethyl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
|
430.70
|
8.2
|
2
|
2
|
40.46
|
1
|
|
|
7-[[(1R,2R,4S,4aS,5S,8aS)-4-hydroxy-1,2,4a,5-tetramethyl-6-oxo-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]chromen-2-one
|
398.50
|
4.1
|
1
|
5
|
76.74
|
3
|
|
|
8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
|
230.22
|
2.1
|
1
|
4
|
67.51
|
0
|
|
|
Quinoline-4-carboxylic acid
|
173.17
|
0.5
|
1
|
3
|
50.19
|
1
|
|
|
2-Hydroxytetracosanoic acid
|
384.60
|
10.7
|
2
|
3
|
57.53
|
22
|
|
|
Cedr-8(15)-ene
|
204.35
|
4.9
|
0
|
0
|
0
|
0
|
|
|
(-)-Alismoxide
|
238.37
|
2.1
|
2
|
2
|
40.46
|
1
|
|
|
[(1S,2R,3R,5S,7S,9R,10R,11R,12S,14S,15R,16S,17S,22R,23S,25R)-3,10,22,25-tetrahydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-14-yl] acetate
|
560.60
|
0.9
|
4
|
10
|
163.12
|
2
|
|
|
6-[(e)-2-(4-Hydroxyphenyl)ethenyl]-4-methoxypyran-2-one
|
244.24
|
2.4
|
1
|
4
|
59.67
|
3
|
|
|
3-(1H-indol-3-yl)quinoline
|
244.29
|
3.9
|
1
|
1
|
28.68
|
1
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-eneperoxoate
|
572.50
|
2.3
|
5
|
13
|
194.58
|
10
|
|
|
Neokestose
|
504.40
|
-5.5
|
11
|
16
|
268.68
|
9
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
|
785.00
|
4
|
9
|
13
|
218.99
|
10
|
|
|
(3S)-5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
286.28
|
2.9
|
2
|
5
|
75.99
|
2
|
|
|
(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-5',5'-bis(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-ol
|
446.60
|
3.4
|
3
|
5
|
79.15
|
2
|
|
|
(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-3'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-3',16-diol
|
446.60
|
3.4
|
3
|
5
|
79.15
|
1
|
|
|
(6S,7aR)-2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
|
584.90
|
10
|
2
|
3
|
49.69
|
9
|
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