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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-(2,7-Dihydroxy-4-methoxyphenanthren-1-yl)-8-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
|
730.80
|
10.8
|
5
|
9
|
138.07
|
6
|
|
|
Smilaside A
|
778.70
|
0.2
|
6
|
19
|
272.73
|
19
|
|
|
Atroviolaceoside
|
788.90
|
-0.8
|
10
|
16
|
257.68
|
7
|
|
|
methyl (2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate
|
1119.20
|
0.6
|
13
|
24
|
380.2
|
13
|
|
|
6-Hydroxy-4,6-dimethyl-3-hepten-2-one
|
156.22
|
1.2
|
1
|
2
|
37.3
|
3
|
|
|
7-Methoxy-9,10-dihydrophenanthrene-2,4-diol
|
242.27
|
3.1
|
2
|
3
|
49.69
|
1
|
|
|
(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide
|
245.36
|
4.2
|
1
|
1
|
29.1
|
8
|
|
|
(4aR,4bS,7S,10aR)-7-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
|
304.50
|
4.6
|
1
|
2
|
37.3
|
1
|
|
|
Anisodine
|
319.40
|
0.6
|
2
|
6
|
82.53
|
5
|
|
|
CID 11616742
|
320.50
|
3
|
2
|
3
|
57.53
|
1
|
|
|
Sagittine G
|
320.50
|
5.4
|
2
|
3
|
57.53
|
2
|
|
|
Ethylene glycol linoleate
|
324.50
|
6.2
|
1
|
3
|
46.53
|
17
|
|
|
7-[(3-Chlorobenzyl)oxy]-4-[(Methylamino)methyl]-2h-Chromen-2-One
|
329.80
|
2.9
|
1
|
4
|
51.47
|
5
|
|
|
Diallyl sulfide
|
114.21
|
2.2
|
0
|
1
|
25.3
|
4
|
|
|
Apteniol B
|
344.40
|
2.9
|
2
|
6
|
93.06
|
9
|
|
|
3-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-5-yl]methoxy]-3-oxopropanoic acid
|
383.31
|
-0.6
|
4
|
10
|
163.06
|
6
|
|
|
Vindorosine
|
426.50
|
1.3
|
1
|
7
|
79.31
|
5
|
|
|
Methoxynepataefolin
|
436.50
|
1.3
|
0
|
8
|
92.82
|
3
|
|
|
(2R)-2-hydroxy-4-methyl-2-[2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]pentanoic acid
|
458.50
|
0.2
|
6
|
11
|
183.21
|
11
|
|
|
Cochinchinone B
|
464.50
|
7.8
|
4
|
6
|
111.13
|
7
|
|
|
1-O-methyl 5-O-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl] (3S)-3-hydroxy-3-methylpentanedioate
|
490.50
|
-0.9
|
5
|
11
|
172.21
|
10
|
|
|
4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-({1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)phenol
|
610.70
|
6.4
|
2
|
8
|
83.86
|
9
|
|
|
Cypellogin B
|
630.60
|
1.8
|
8
|
14
|
236.81
|
8
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptadec-16-en-12-ynoate
|
661.10
|
16.1
|
0
|
2
|
26.3
|
20
|
|
|
(1S,4aR,6aR,6aR,6bR,8aR,10R,11R,12aR,14aR,14bR)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
797.00
|
3.2
|
9
|
14
|
236.06
|
7
|
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