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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cimiracemoside K
|
660.80
|
4.2
|
4
|
10
|
144.14
|
5
|
|
|
[(2R,4R,4aS,4bS,5R,6S,7S,8aS,9S,10R,10aR)-7,10-diacetyloxy-5-benzoyloxy-2-ethenyl-6,9,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-4-yl] benzoate
|
692.70
|
4.3
|
3
|
12
|
182.96
|
11
|
|
|
Draconin B
|
822.90
|
0.5
|
6
|
16
|
229.36
|
8
|
|
|
[(2S,3R,4S,5S)-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
|
901.00
|
0.5
|
9
|
18
|
280.82
|
14
|
|
|
3-Methyl crotonic acid
|
100.12
|
1.2
|
1
|
2
|
37.3
|
1
|
|
|
(3S,8S,9S,10R,13S,14S,17R)-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-10,13-dimethyl-17-[(2S,6R)-6-methyl-3-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
|
1047.20
|
-2.1
|
12
|
22
|
350.74
|
16
|
|
|
(3Z)-3,8-dimethylnona-1,3,7-triene
|
150.26
|
4.6
|
0
|
0
|
0
|
4
|
|
|
alpha,beta-Thujone
|
152.23
|
2.3
|
0
|
1
|
17.07
|
1
|
|
|
Isopinocarveol
|
152.23
|
1.8
|
1
|
1
|
20.23
|
0
|
|
|
3,7-Dimethyloct-1-en-3-yl acetate
|
198.30
|
3.6
|
0
|
2
|
26.3
|
7
|
|
|
(4-methoxy-1H-indol-3-yl)methanamine
|
176.21
|
0.9
|
2
|
2
|
51.04
|
2
|
|
|
3-Aminobutanoic acid
|
103.12
|
-3.1
|
2
|
3
|
63.32
|
2
|
|
|
(3S,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
|
188.26
|
0.4
|
3
|
3
|
60.69
|
5
|
|
|
Sedanonic acid lactone
|
192.25
|
3
|
0
|
2
|
26.3
|
2
|
|
|
2-Pyrrolidinone, 5-[(1,1,2-trimethyl-2-propenyl)dioxy]-
|
199.25
|
1.5
|
1
|
3
|
47.56
|
4
|
|
|
Verimol I
|
206.24
|
2.2
|
0
|
3
|
35.53
|
5
|
|
|
Platyphyllide
|
214.26
|
3.3
|
0
|
2
|
26.3
|
1
|
|
|
(E,6S)-2-methyl-6-(4-methylphenyl)hept-2-en-1-ol
|
218.33
|
4.1
|
1
|
1
|
20.23
|
5
|
|
|
(2R,4aR,5S,8S)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
Cyclohexadecene
|
222.41
|
7.9
|
0
|
0
|
0
|
0
|
|
|
Isodehydrocostus lactone
|
230.30
|
2.4
|
0
|
2
|
26.3
|
0
|
|
|
(4aR,5S,8aR,9aR)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
234.33
|
3.7
|
0
|
2
|
26.3
|
0
|
|
|
Methyl tuberonate
|
240.29
|
0.7
|
1
|
4
|
63.6
|
7
|
|
|
z-3-Methylsulfinyloxy-2-propenyl s-butyl disulfide
|
240.40
|
2
|
0
|
5
|
96.11
|
7
|
|
|
2,4-Dimethylthiazole
|
113.18
|
1.8
|
0
|
2
|
41.13
|
0
|
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