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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Methylhept-3-en-2-one
|
126.20
|
2.1
|
0
|
1
|
17.07
|
3
|
|
|
3-Methylbut-3-enyl beta-d-glucopyranoside
|
248.27
|
-0.5
|
4
|
6
|
99.38
|
5
|
|
|
L-Citronellol glucoside
|
318.41
|
1.6
|
4
|
6
|
99.38
|
8
|
|
|
1-(5-hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
310.50
|
5.4
|
2
|
2
|
40.46
|
5
|
|
|
CID 14239432
|
310.50
|
5.4
|
2
|
2
|
40.46
|
5
|
|
|
(4aS,7S,8aS,10aS)-1,1,4a,7-Tetramethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene
|
272.50
|
7
|
0
|
0
|
0
|
1
|
|
|
9-Hydroxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one
|
235.28
|
0.2
|
1
|
4
|
49.77
|
0
|
|
|
Lapiferin
|
394.50
|
3.3
|
1
|
6
|
85.36
|
6
|
|
|
Hypargenin B
|
316.40
|
4.7
|
2
|
3
|
57.53
|
1
|
|
|
(4R,6S,9S,10S)-4,9-dibromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane
|
398.60
|
5.7
|
0
|
0
|
0
|
0
|
|
|
3,5,8a-Trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-5-ol
|
234.33
|
3.2
|
1
|
2
|
33.37
|
0
|
|
|
(4aR,5R,8aR)-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-5-ol
|
234.33
|
3.2
|
1
|
2
|
33.37
|
0
|
|
|
4-Methoxy-5-(4-methoxy-1-methyl-2,5,6-trioxopyridin-3-yl)-1-methylpyridine-2,3,6-trione
|
336.25
|
-1.2
|
0
|
8
|
127.36
|
3
|
|
|
Curcumol
|
236.35
|
2.8
|
1
|
2
|
29.46
|
1
|
|
|
[4,12-Diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
|
666.70
|
2.8
|
1
|
13
|
178.03
|
13
|
|
|
CID 14240939
|
413.60
|
5.3
|
1
|
3
|
40.54
|
0
|
|
|
12alpha-Hydroxyevodol
|
500.50
|
0.1
|
2
|
10
|
145.03
|
1
|
|
|
1,3-Dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
|
280.40
|
3.6
|
0
|
3
|
27.69
|
2
|
|
|
[(1R,4aS,8R,8aS)-7,8-diformyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
396.50
|
4
|
1
|
5
|
80.67
|
6
|
|
|
N'-Formylanatabine
|
188.23
|
0.9
|
0
|
2
|
33.2
|
1
|
|
|
Pulchellin C
|
264.32
|
0.9
|
2
|
4
|
66.76
|
0
|
|
|
(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxane-3,4,5-triol
|
622.80
|
2.9
|
6
|
9
|
149.07
|
4
|
|
|
phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-
|
272.50
|
6.3
|
0
|
0
|
0
|
1
|
|
|
Palustradienal
|
286.50
|
4.4
|
0
|
1
|
17.07
|
2
|
|
|
Hept-3-en-2-one
|
112.17
|
1.7
|
0
|
1
|
17.07
|
3
|
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