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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Methyl-2-butene-1-thiol
|
102.20
|
2
|
1
|
1
|
38.8
|
1
|
|
|
[(3aR,4R,5S,5aS,6S,8R,8aR,9R,9aS)-4,9-dihydroxy-5,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] (Z)-2-methylbut-2-enoate
|
462.50
|
3.3
|
2
|
8
|
119.36
|
6
|
|
|
3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-3-carboxylic acid
|
308.50
|
4.9
|
1
|
3
|
46.53
|
1
|
|
|
2-[(2S,4R,5R)-5-ethyl-2-[3-(2-hydroxyethyl)-1H-indol-2-yl]-1-methylpiperidin-4-yl]ethanol
|
330.50
|
2.7
|
3
|
3
|
59.49
|
6
|
|
|
(1R,2S)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
|
354.26
|
0.1
|
5
|
10
|
178.66
|
9
|
|
|
(2,2'-Binaphthalene)-5,5',8,8'-tetrone, 1,1'-dihydroxy-6,6'-dimethyl-
|
374.30
|
3.7
|
2
|
6
|
108.74
|
1
|
|
|
Aspergilactone A
|
212.24
|
1
|
2
|
4
|
66.76
|
4
|
|
|
Acetoxydehdroaustin
|
556.60
|
1.2
|
0
|
11
|
140.73
|
4
|
|
|
Phyllodulcin
|
286.28
|
3.1
|
2
|
5
|
75.99
|
2
|
|
|
1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
|
338.40
|
3.3
|
2
|
5
|
83.83
|
7
|
|
|
2,4,4-Trimethyl-3-hydroxymethylcyclohex-2-en-1-one
|
168.23
|
0.8
|
1
|
2
|
37.3
|
1
|
|
|
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
|
432.70
|
7
|
3
|
3
|
60.69
|
5
|
|
|
Procyanidin B3
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
|
|
9-Ethyl-4,5,9-trihydroxy-8-methyl-4-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione
|
441.50
|
0
|
3
|
10
|
142.83
|
2
|
|
|
(1R,4R,5S,8R,9S,19R)-9-ethyl-4,5,9-trihydroxy-8-methyl-4-propan-2-yl-2,7,11-trioxa-16-azatricyclo[11.5.1.016,19]nonadec-13-ene-3,6,10-trione
|
441.50
|
0
|
3
|
10
|
142.83
|
2
|
|
|
Parsonsianine
|
441.50
|
0
|
3
|
10
|
142.83
|
2
|
|
|
(1S,3R,6S,8S,9R,11S,12S,15R,16R)-12,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol
|
428.70
|
8.1
|
2
|
2
|
40.46
|
5
|
|
|
Howiicin B
|
580.90
|
10.3
|
3
|
6
|
96.22
|
26
|
|
|
5-[11-Hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
|
580.90
|
10
|
2
|
6
|
93.06
|
26
|
|
|
artonin F
|
502.60
|
6
|
3
|
7
|
109.36
|
2
|
|
|
1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
4-[(3,4-Dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
|
696.70
|
-0.4
|
7
|
16
|
232.52
|
13
|
|
|
Arctigenin 4'-O-beta-gentiobioside
|
696.70
|
-0.4
|
7
|
16
|
232.52
|
13
|
|
|
Dihydrodehydroconiferyl alcohol 4-O-glucoside
|
522.50
|
0.3
|
6
|
11
|
167.53
|
10
|
|
|
[5-Acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
|
532.40
|
0.4
|
6
|
13
|
213.42
|
7
|
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