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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ardisiphenol B
|
376.50
|
7.9
|
2
|
4
|
66.76
|
15
|
|
|
Nicotyrine
|
158.20
|
1.3
|
0
|
1
|
17.82
|
1
|
|
|
Methyl 2-ethylhexanoate
|
158.24
|
3
|
0
|
2
|
26.3
|
6
|
|
|
(1R,2R,4R,5R,10R,11R,14R,15S,18S,23S)-4-hydroxy-2,7,7,10,14,15,21,21-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
|
528.80
|
6.9
|
2
|
5
|
75.99
|
1
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6S,7S,8R,9S,10R,12S,13R,16S)-10-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
737.90
|
0.8
|
8
|
13
|
199.79
|
5
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
721.90
|
2.7
|
7
|
12
|
179.56
|
5
|
|
|
Hexadecanoic acid nonyl ester
|
382.70
|
11.4
|
0
|
2
|
26.3
|
23
|
|
|
methyl (11S,12S,17S)-6-bromo-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
|
403.30
|
3.8
|
1
|
4
|
41.57
|
3
|
|
|
2-Methyloctan-1-ol
|
144.25
|
3.4
|
1
|
1
|
20.23
|
6
|
|
|
4-[[(E)-1-Carboxy-2-(3-methoxy-4-hydroxyphenyl)ethenyl]oxy]-3-methoxy-trans-cinnamic acid
|
386.40
|
3.2
|
3
|
8
|
122.52
|
8
|
|
|
1-Octadec-9-enyl-3-phenyl-urea
|
386.60
|
8.8
|
2
|
1
|
41.13
|
17
|
|
|
(3R,4R)-3-(4-Hydroxy-3-methoxy-benzyl)-4-(4-hydroxy-3,5-dimethoxybenzyl)dihydrofuran-2(3H)-one
|
388.40
|
3.2
|
2
|
7
|
94.45
|
7
|
|
|
(+)-8-Methoxyisolariciresinol
|
390.40
|
2
|
4
|
7
|
108.61
|
6
|
|
|
8-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,2-dimethylchromen-5-ol
|
390.50
|
5.2
|
1
|
4
|
47.92
|
1
|
|
|
2-[[(2R,3S,6R,8S,9S)-3,9-dimethyl-2-[(2R)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
|
480.60
|
5
|
2
|
7
|
114.65
|
6
|
|
|
Lumazine
|
164.12
|
-1
|
2
|
4
|
91.5
|
0
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
779.00
|
4.4
|
7
|
13
|
212.67
|
6
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
895.10
|
3.3
|
8
|
16
|
251.36
|
7
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-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]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
781.00
|
4.7
|
8
|
13
|
215.83
|
6
|
|
|
(E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol
|
220.35
|
3.3
|
1
|
1
|
20.23
|
2
|
|
|
Delicaflavone
|
538.50
|
5.5
|
5
|
10
|
170.8
|
4
|
|
|
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] phosphate
|
562.30
|
-4.4
|
6
|
16
|
302.3
|
9
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
933.10
|
1.7
|
12
|
18
|
298.14
|
13
|
|
|
6-(I(2)-D-Glucopyranosyloxy)-4-methoxy-5-benzofuranpropanoic acid
|
398.40
|
-0.1
|
5
|
10
|
159.05
|
7
|
|
|
5'-Methoxycurcumin
|
398.40
|
3.2
|
2
|
7
|
102.29
|
9
|
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