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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2Z,4E)-3-methyl-5-[(1R,2R,3R,5S,8S)-2,3,8-trihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
|
298.33
|
-0.1
|
4
|
6
|
107.22
|
3
|
|
|
(E)-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybut-2-enoic acid
|
300.26
|
2.1
|
1
|
6
|
89.88
|
4
|
|
|
Enigmol
|
301.50
|
5.5
|
3
|
3
|
66.48
|
15
|
|
|
(1S,9S,12S,13S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6-triene
|
310.40
|
3.2
|
0
|
3
|
19.01
|
1
|
|
|
Eriophorin C
|
314.29
|
3
|
2
|
6
|
89.13
|
3
|
|
|
1,2-Dimethylcyclohexane
|
112.21
|
3.8
|
0
|
0
|
0
|
0
|
|
|
(2S,7S,9R,12R,13R,17R)-9,17-dihydroxy-2,6,6,13-tetramethyl-15-oxatetracyclo[8.7.0.02,7.012,17]heptadec-1(10)-ene-11,16-dione
|
348.40
|
2.2
|
2
|
5
|
83.83
|
0
|
|
|
3-Isoajmalicine
|
352.40
|
2.7
|
1
|
4
|
54.56
|
2
|
|
|
[6]-Gingerdiol acetate methyl ether
|
352.50
|
4.5
|
1
|
5
|
64.99
|
13
|
|
|
Dictyophlebine
|
360.60
|
6.2
|
1
|
2
|
15.27
|
3
|
|
|
ludongnin G
|
362.50
|
3.4
|
0
|
5
|
61.83
|
1
|
|
|
5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
|
374.30
|
3.1
|
2
|
8
|
107.59
|
5
|
|
|
(4aS,4bS,7R,8S,10aS,10bS,12aR)-8-(3-hydroxyprop-1-en-2-yl)-2,2,4a,10b-tetramethyl-4b,5,7,8,9,10,10a,11,12,12a-decahydro-4H-phenanthro[2,1-d][1,3]dioxin-7-ol
|
376.50
|
3.1
|
2
|
4
|
58.92
|
2
|
|
|
5-[(2S,3S)-3-(hydroxymethyl)-7-[(E)-3-hydroxyprop-1-enyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-3-methoxybenzene-1,2-diol
|
390.40
|
1.5
|
4
|
8
|
117.84
|
6
|
|
|
[1-(4-Hydroxy-3-methoxyphenyl)-3-oxotetradecan-5-yl] acetate
|
392.50
|
5.8
|
1
|
5
|
72.83
|
16
|
|
|
2-Methylcyclohexanol
|
114.19
|
1.8
|
1
|
1
|
20.23
|
0
|
|
|
11-(2,6-Dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
|
402.50
|
6.4
|
5
|
6
|
118.22
|
12
|
|
|
methyl (1S,2S,4S,6S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
|
404.40
|
-2.7
|
5
|
11
|
167.67
|
6
|
|
|
[(4R)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(5-methoxy-2,2-dimethylchromen-6-yl)methanone
|
410.50
|
4.2
|
0
|
6
|
63.22
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(2R,4aR,5R,8R,8aR)-5,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
418.50
|
0
|
6
|
8
|
139.84
|
4
|
|
|
2-Methylcyclohexanone
|
112.17
|
1.5
|
0
|
1
|
17.07
|
0
|
|
|
2-[4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]acetonitrile
|
441.40
|
-1.3
|
6
|
11
|
182.09
|
6
|
|
|
caesalpinin D
|
446.50
|
2.5
|
1
|
8
|
112.27
|
4
|
|
|
2,3-Dimethylpyridine
|
107.15
|
1.6
|
0
|
1
|
12.89
|
0
|
|
|
Symplocosidin
|
304.29
|
0.7
|
4
|
6
|
99.38
|
2
|
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