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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(20-Oxo-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-yl) acetate
|
338.30
|
3
|
0
|
7
|
88.11
|
2
|
|
|
7-Dehydroporiferasterol peroxide
|
442.70
|
7.3
|
1
|
3
|
38.69
|
5
|
|
|
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol
|
412.60
|
5.8
|
1
|
3
|
38.69
|
4
|
|
|
7,8-Dimethoxyflavanone
|
284.31
|
2.8
|
0
|
4
|
44.76
|
3
|
|
|
(E)-1-methoxyicos-4-en-3-one
|
324.50
|
8
|
0
|
2
|
26.3
|
18
|
|
|
(E)-1-(4-hydroxyphenoxy)icos-4-en-3-one
|
402.60
|
9.5
|
1
|
3
|
46.53
|
19
|
|
|
1-Methyl-2-n-decylquinolin-4(1h)-one
|
299.40
|
6.7
|
0
|
2
|
22
|
9
|
|
|
Methylgerambullin
|
419.60
|
4.5
|
0
|
4
|
72.06
|
11
|
|
|
4-Methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
|
257.33
|
3.1
|
0
|
2
|
31.23
|
3
|
|
|
3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
|
500.70
|
3.5
|
3
|
6
|
111.9
|
2
|
|
|
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-8-oxo-3,4,5,6,6a,7,8a,10,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid
|
502.70
|
3.6
|
4
|
6
|
115.06
|
2
|
|
|
2',4',6'-Trimethylacetophenone
|
162.23
|
2.7
|
0
|
1
|
17.07
|
1
|
|
|
cis-3-Hexenyl tiglate
|
182.26
|
3.1
|
0
|
2
|
26.3
|
6
|
|
|
Cathaformine
|
399.40
|
2.8
|
1
|
7
|
86.69
|
3
|
|
|
[(1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-14-yl] acetate
|
676.80
|
2.2
|
5
|
11
|
164.37
|
4
|
|
|
[(1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-14-yl] acetate
|
676.80
|
2.2
|
5
|
11
|
164.37
|
4
|
|
|
methyl (E)-2-[(2S,3S)-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-methoxyprop-2-enoate
|
397.50
|
2.9
|
1
|
4
|
63.56
|
6
|
|
|
2-Butylbenzamide
|
177.24
|
2.3
|
1
|
1
|
43.09
|
4
|
|
|
(1R,6S,13R)-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
|
704.70
|
-0.8
|
6
|
16
|
221.52
|
9
|
|
|
Nortrachelogenin-8'-O-|A-glucoside
|
536.50
|
0.9
|
6
|
12
|
184.6
|
9
|
|
|
heteroclitalignan D
|
594.60
|
4.5
|
1
|
11
|
128.21
|
9
|
|
|
(3R,4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
|
428.70
|
10.1
|
1
|
1
|
20.23
|
0
|
|
|
[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] methyl phosphate
|
491.18
|
-3.8
|
5
|
16
|
277.33
|
8
|
|
|
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
450.40
|
0.2
|
7
|
11
|
186.37
|
4
|
|
|
| cent-D-galactopyranoside, (3|A,5|A,15|A,25S)-15-hydroxyspirostan-3-yl 2-O-|A-D-glucopyranosyl-
|
756.90
|
2.3
|
8
|
14
|
217.22
|
6
|
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