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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Mandassidione
|
234.33
|
2.3
|
0
|
2
|
34.14
|
6
|
|
|
N-(15-acetyl-12,16-dimethyl-7-methylidene-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl)-N-methylacetamide
|
395.60
|
4.6
|
0
|
2
|
37.38
|
2
|
|
|
N-[(1S,3R,6S,8R,11S,12S,16S)-15-acetyl-12,16-dimethyl-7-methylidene-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]-N-methylacetamide
|
395.60
|
4.6
|
0
|
2
|
37.38
|
2
|
|
|
(1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-3-one
|
218.33
|
3.7
|
0
|
1
|
17.07
|
0
|
|
|
(3R,3aS,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
|
268.35
|
1.6
|
2
|
4
|
66.76
|
0
|
|
|
1-(3,5-Dihydroxyphenyl)tricos-3-en-2-one
|
444.70
|
11.3
|
2
|
3
|
57.53
|
21
|
|
|
Ethyl tetracosanoate
|
396.70
|
12.1
|
0
|
2
|
26.3
|
24
|
|
|
2,4-Dimethyl-2,4-pentanediol
|
132.20
|
0.5
|
2
|
2
|
40.46
|
2
|
|
|
5-Hydroxy-2-(4-hydroxy-3-methylphenyl)-3,7-dimethylchromen-4-one
|
296.30
|
4.1
|
2
|
4
|
70.67
|
1
|
|
|
3-hydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-4-oxobutanoic acid
|
340.28
|
0.4
|
3
|
9
|
139.59
|
9
|
|
|
3-Methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
|
296.27
|
2.7
|
1
|
5
|
80.67
|
2
|
|
|
4-[3-(4-Hydroxyphenyl)propyl]-2-methoxyphenol
|
258.31
|
3.3
|
2
|
3
|
49.69
|
5
|
|
|
Vanillylidene acetone
|
192.21
|
1.7
|
1
|
3
|
46.53
|
3
|
|
|
(3S)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
|
254.36
|
1.7
|
2
|
3
|
49.69
|
5
|
|
|
1-(2-Methoxypropan-2-yl)-4-methylbenzene
|
164.24
|
2.5
|
0
|
1
|
9.23
|
2
|
|
|
-3 Arachidonic Acid methyl ester
|
318.50
|
6.6
|
0
|
2
|
26.3
|
15
|
|
|
(24E)-Stigmasta-4,24(28)-dien-3-one
|
410.70
|
8.8
|
0
|
1
|
17.07
|
5
|
|
|
Butyl gallate
|
226.23
|
2.4
|
3
|
5
|
86.99
|
5
|
|
|
12-Hydroxyicosa-5,8,10,14-tetraenoic acid
|
320.50
|
5.2
|
2
|
3
|
57.53
|
14
|
|
|
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10R,22S,23R,24R,26R)-4,5,23-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
|
1023.20
|
4.4
|
7
|
21
|
294.35
|
16
|
|
|
6,7,25,26,32-Pentahydroxy-5,24,31-trimethyl-20-pentyl-33-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one
|
839.00
|
1.6
|
8
|
18
|
261.98
|
6
|
|
|
4-[1-(1,3-Benzodioxol-5-yl)-1-oxopropan-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one
|
370.40
|
2.8
|
0
|
6
|
71.06
|
7
|
|
|
Quercetin 3-galactoside 7-rhamnoside
|
610.50
|
-0.9
|
10
|
16
|
269.43
|
6
|
|
|
CID 14131423
|
368.40
|
3.3
|
2
|
6
|
85.22
|
2
|
|
|
(R)-Pantothenic acid 4'-O-b-D-glucoside
|
381.38
|
-2.7
|
7
|
10
|
186.01
|
9
|
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