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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-Hydroxyscytalone, cis-
|
210.18
|
-0.2
|
4
|
5
|
97.99
|
0
|
|
|
Colutehydroquinone
|
332.30
|
2.9
|
2
|
6
|
77.38
|
4
|
|
|
Zeaxanthin-laurate-myristate
|
961.50
|
23.5
|
0
|
4
|
52.6
|
36
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-acetyloxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
969.20
|
4.2
|
9
|
18
|
280.82
|
10
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-acetyloxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
985.20
|
2.9
|
10
|
19
|
301.05
|
11
|
|
|
gibberellin A98
|
362.40
|
0.5
|
3
|
6
|
104.06
|
1
|
|
|
(4Z)-4-(1-methoxy-4-methyl-2-oxopentylidene)-2-methylcyclohexa-2,5-dien-1-one
|
234.29
|
2.4
|
0
|
3
|
43.37
|
4
|
|
|
[(2S,4R,5R,5aR,8S,9aR,10S,10aR)-4,5,10-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulen-2-yl] acetate
|
536.60
|
0.6
|
2
|
10
|
145.66
|
9
|
|
|
(1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
|
238.37
|
2.5
|
1
|
2
|
29.46
|
0
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,11S,12aS,14aR,14bR)-11-carboxy-9,10-dihydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
989.10
|
0.5
|
13
|
21
|
352.51
|
10
|
|
|
(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-15-[(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-46-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11(16),12,14,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
|
1851.20
|
2.5
|
31
|
51
|
890.13
|
1
|
|
|
[(1R,2S,4S,7S,8R,9R,11R)-11-methoxy-3,3-dimethyl-12-methylidenespiro[10-oxatricyclo[6.4.0.02,4]dodecane-7,2'-oxirane]-9-yl] acetate
|
322.40
|
1.9
|
0
|
5
|
57.29
|
3
|
|
|
[1-(5,7-Dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobutyl] 3-methylbutanoate
|
390.40
|
3.8
|
0
|
7
|
92.04
|
9
|
|
|
1,2-Benzenediol, 5-[4-(acetyloxy)tetrahydro-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-yl]-3-methoxy-, (2I+/-,4I+/-,6I+/-)-(-)-
|
432.50
|
3.3
|
3
|
8
|
114.68
|
8
|
|
|
[(2S,4S,6S)-2-(3,4-dihydroxy-5-methoxyphenyl)-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]oxan-4-yl] acetate
|
432.50
|
3.3
|
3
|
8
|
114.68
|
8
|
|
|
1,2-Benzenediol, 3-methoxy-5-[tetrahydro-4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2H-pyran-2-yl]-, (2alpha,4alpha,6alpha)-(-)-
|
390.40
|
2.7
|
4
|
7
|
108.61
|
6
|
|
|
1,5-Epoxy-3-hydroxy-1-(3,4-dihydroxy-5-methoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane
|
390.40
|
2.7
|
4
|
7
|
108.61
|
6
|
|
|
(1s,3r,5s)-1,5-Epoxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-ol
|
404.50
|
3.1
|
3
|
7
|
97.61
|
7
|
|
|
[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate
|
853.00
|
3.6
|
6
|
16
|
237.2
|
11
|
|
|
[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]butan-2-yl] acetate
|
706.90
|
4.7
|
4
|
12
|
178.28
|
9
|
|
|
(4aR,5S,7R,8aR,9aS)-7-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
(4R,5R)-4,5-dihydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one
|
334.32
|
-3.3
|
6
|
9
|
156.91
|
5
|
|
|
(4S,5S)-4,5-dihydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one
|
334.32
|
-3.3
|
6
|
9
|
156.91
|
5
|
|
|
8-[(E)-2-[2-(5,7-dimethoxy-2-oxochromen-8-yl)-1-methylcyclohex-3-en-1-yl]ethenyl]-5,7-dimethoxychromen-2-one
|
530.60
|
6.2
|
0
|
8
|
97.34
|
7
|
|
|
3-(1H-indol-3-ylmethyl)-1-methylindole
|
260.30
|
4
|
1
|
0
|
20.72
|
2
|
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