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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone
|
328.30
|
2.8
|
1
|
6
|
82.06
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7S,7aS)-7-hydroxy-4,7-dimethyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
346.37
|
-1.3
|
5
|
8
|
128.84
|
3
|
|
|
Salicortin
|
424.40
|
-0.6
|
5
|
10
|
162.98
|
7
|
|
|
4-Octanone
|
128.21
|
2.1
|
0
|
1
|
17.07
|
5
|
|
|
(+)-Lappaconitine >90%
|
584.70
|
1.6
|
3
|
9
|
126.79
|
8
|
|
|
Apteniol C
|
372.40
|
3.6
|
0
|
6
|
71.06
|
11
|
|
|
Pivmecillinam
|
439.60
|
3.1
|
0
|
7
|
113.81
|
8
|
|
|
Tetraphyllin B
|
287.27
|
-2.3
|
5
|
8
|
143.4
|
3
|
|
|
(2S,3S)-2-(3,4-Methylenedioxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl) butyrolactone
|
384.40
|
3.6
|
0
|
7
|
72.45
|
5
|
|
|
Gomisin R
|
400.40
|
3.9
|
1
|
7
|
75.61
|
2
|
|
|
Butyl octanoate
|
200.32
|
4.4
|
0
|
2
|
26.3
|
10
|
|
|
Mammea E/BA
|
430.50
|
4.8
|
2
|
7
|
114.04
|
9
|
|
|
Urea, N-(2-(2-oxo-1-imidazolidinyl)ethyl)-N'-phenyl-
|
248.28
|
0
|
3
|
2
|
73.47
|
4
|
|
|
3,3'-[Oxybis(methylene)]bis(9-methoxy-9h-carbazole)
|
436.50
|
6.7
|
0
|
3
|
37.55
|
6
|
|
|
1,3,8,10-Tetrahydroxy-2-methyl-4,9-bis(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
|
450.50
|
7
|
4
|
7
|
124.27
|
4
|
|
|
Norcowanin
|
464.50
|
7.8
|
4
|
6
|
111.13
|
7
|
|
|
latilagascene B
|
480.60
|
4.4
|
2
|
6
|
96.36
|
5
|
|
|
[(1R,3S,3aR,4S,8S,8aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] benzoate
|
498.60
|
5.1
|
1
|
7
|
99.13
|
9
|
|
|
3-Methylheptane
|
114.23
|
4.3
|
0
|
0
|
0
|
4
|
|
|
3-O-beta-D-Glucopyranosylandrographolide
|
512.60
|
0
|
6
|
10
|
166.14
|
6
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate
|
537.50
|
-1.3
|
7
|
13
|
210.62
|
10
|
|
|
Lancifodilactone M
|
542.60
|
0
|
1
|
10
|
134.66
|
0
|
|
|
Brassinolide
|
480.70
|
4.8
|
4
|
6
|
107.22
|
5
|
|
|
3-Heptanol
|
116.20
|
2.2
|
1
|
1
|
20.23
|
4
|
|
|
(2S,3R,4S,5R)-2-[(1S,1'S,4S,4'R,5S,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-18'-yl]oxyoxane-3,4,5-triol
|
602.80
|
4.6
|
3
|
8
|
110.14
|
2
|
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