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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,2R,5R,8R,9S,10R,11R,14S)-14-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
332.40
|
1.7
|
2
|
5
|
83.83
|
1
|
|
|
Gibberellin A121
|
330.40
|
1.1
|
2
|
5
|
83.83
|
1
|
|
|
2,2-Propanediamine
|
74.13
|
-0.9
|
2
|
2
|
52.04
|
0
|
|
|
(1S,2S,6S,7R,8R,11S,14S,15R,18R,20R,21S)-7,20,21-trihydroxy-7,8,14,15,19,19-hexamethyl-22-oxahexacyclo[19.2.1.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
502.70
|
4
|
4
|
6
|
107.22
|
1
|
|
|
(3Z,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
|
352.30
|
3.6
|
0
|
6
|
63.22
|
3
|
|
|
(1R,4R,4aR,6S,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
|
224.38
|
4.4
|
1
|
1
|
20.23
|
1
|
|
|
1-[(12S,13R,18R)-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
|
366.50
|
2.1
|
0
|
4
|
43.7
|
2
|
|
|
1-[(12S,13R,18R)-6-methoxy-7-[[(12S,13R,16S,17S,18R)-16-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
|
718.90
|
4.9
|
0
|
7
|
70.33
|
5
|
|
|
5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
444.40
|
2
|
1
|
9
|
101.91
|
5
|
|
|
2-Methoxypsoromic acid
|
388.30
|
2.8
|
2
|
9
|
128.59
|
4
|
|
|
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
446.40
|
0
|
6
|
10
|
170.05
|
4
|
|
|
methyl (2E,3E,5E)-6-[3-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4-(3-methylbut-2-enoxy)phenyl]-3-(hydroxymethyl)-2-(methoxymethylidene)hexa-3,5-dienoate
|
458.50
|
4.4
|
1
|
7
|
86.75
|
13
|
|
|
[(4S,8S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl methylsulfanylformate
|
446.40
|
-1.5
|
4
|
12
|
186.51
|
7
|
|
|
(3S,5R)-5-[(11S)-11-hydroxy-11-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-3-oxoundecyl]-3-(2-oxopropyl)oxolan-2-one
|
594.90
|
7.9
|
2
|
7
|
110.13
|
26
|
|
|
(1S,2R,5R,10R,14S,15S)-14-[(E,5R)-5-ethyl-6-methylhept-2-en-2-yl]-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-7-en-5-ol
|
414.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
[(1S,3E,4R)-3-[2-[(1R,3aS,4R,7aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-yl]ethylidene]-4-methylcyclohexyl] 7,16-dihydroxytetracosanoate
|
797.30
|
17.5
|
2
|
4
|
66.76
|
32
|
|
|
(1S,2R,5S,10R,14S,15S)-14-[(E,5R)-5-ethyl-6-methylhept-2-en-2-yl]-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-7-en-5-ol
|
414.70
|
9.5
|
1
|
1
|
20.23
|
5
|
|
|
(2S,5S)-2-[(1Z,2S,5R,8E,10R,14S,15S)-5-hydroxy-2,15-dimethyl-14-bicyclo[8.7.0]heptadeca-1(17),8-dienyl]-5,6-dimethylheptan-3-one
|
416.70
|
7.6
|
1
|
2
|
37.3
|
5
|
|
|
(2Z,6Z)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
|
220.35
|
4.2
|
0
|
1
|
17.07
|
0
|
|
|
(7Z,10Z)-2,7,9,9-tetramethylcycloundeca-7,10-diene-1,6-dione
|
234.33
|
3.3
|
0
|
2
|
34.14
|
0
|
|
|
[(1S,3R,8R,10S,11R,16S,17R)-5,11,15,15-tetramethyl-6,14-dioxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadeca-4,12-dien-17-yl] acetate
|
386.40
|
1.8
|
0
|
6
|
82.2
|
2
|
|
|
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
|
795.00
|
3
|
8
|
14
|
232.9
|
7
|
|
|
kaempferol 7-O-glucoside
|
448.40
|
0.7
|
7
|
11
|
190.28
|
4
|
|
|
methyl (E)-3-[4-hydroxy-3-(3-methylbut-2-enoyl)phenyl]prop-2-enoate
|
260.28
|
3.5
|
1
|
4
|
63.6
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
|
522.50
|
0.3
|
6
|
11
|
167.53
|
10
|
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