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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
N-[(6S,7R,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),3-dienyl]benzamide
|
520.70
|
5.4
|
3
|
4
|
72.8
|
5
|
|
|
Euphornin
|
584.70
|
5.1
|
1
|
9
|
125.43
|
9
|
|
|
10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
470.70
|
6.2
|
2
|
4
|
74.6
|
1
|
|
|
Virgatic acid
|
470.70
|
6.2
|
2
|
4
|
74.6
|
1
|
|
|
Phyllosterone
|
249.30
|
1.7
|
1
|
4
|
49.77
|
4
|
|
|
2-methoxy-5-[[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenol
|
327.40
|
3.2
|
1
|
5
|
51.16
|
3
|
|
|
2-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]acetaldehyde
|
180.29
|
2.7
|
0
|
1
|
17.07
|
2
|
|
|
(E)-3-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]prop-2-enal
|
192.30
|
3
|
0
|
1
|
17.07
|
2
|
|
|
4-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]butan-2-one
|
208.34
|
3.1
|
0
|
1
|
17.07
|
3
|
|
|
4-[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]butan-2-one
|
208.34
|
3.1
|
0
|
1
|
17.07
|
3
|
|
|
(E)-1-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]pent-1-en-3-one
|
220.35
|
3.7
|
0
|
1
|
17.07
|
3
|
|
|
(E)-1-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]pent-1-en-3-one
|
220.35
|
3.9
|
0
|
1
|
17.07
|
3
|
|
|
17-Octadecynoic acid
|
280.40
|
7.1
|
1
|
2
|
37.3
|
15
|
|
|
Morusignin B
|
328.30
|
4
|
4
|
6
|
111.13
|
2
|
|
|
5,7-Dihydroxy-4'-methoxy-8,3'-di-C-prenylflavanone
|
422.50
|
6.6
|
2
|
5
|
75.99
|
6
|
|
|
Cyclobutanone
|
70.09
|
0
|
0
|
1
|
17.07
|
0
|
|
|
6''-O-Malonyldaidzin
|
502.40
|
0.4
|
5
|
12
|
193.19
|
8
|
|
|
Methylenecyclohexane
|
96.17
|
2.6
|
0
|
0
|
0
|
0
|
|
|
[5-benzyl-2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] 3-(4-hydroxyphenyl)propanoate
|
526.50
|
2.6
|
6
|
10
|
166.14
|
10
|
|
|
3,5-Dihydroxy-4-[(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl]-6,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
|
484.70
|
6.7
|
3
|
5
|
94.83
|
9
|
|
|
[4,5-Dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-7-yl]oxy-2-methyloxan-3-yl] acetate
|
650.60
|
0.5
|
7
|
16
|
244.27
|
8
|
|
|
[2-[3-(4-Acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
|
692.60
|
1
|
6
|
17
|
250.34
|
10
|
|
|
7-Hydroxyoctacosan-4-one
|
424.70
|
11.4
|
1
|
2
|
37.3
|
25
|
|
|
7-Hydroxytriacontan-4-one
|
452.80
|
12.5
|
1
|
2
|
37.3
|
27
|
|
|
3,4,5-Trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoic acid
|
470.30
|
1.2
|
8
|
13
|
239.33
|
2
|
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