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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
480.40
|
0
|
9
|
13
|
230.74
|
4
|
|
|
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-Acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] benzoate
|
484.60
|
1.9
|
4
|
7
|
124.29
|
4
|
|
|
Kainic acid
|
213.23
|
-1.8
|
3
|
5
|
86.63
|
4
|
|
|
2(3H)-Furanone, 5-ethenyldihydro-5-methyl-
|
126.15
|
1
|
0
|
2
|
26.3
|
1
|
|
|
6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate
|
194.27
|
2.4
|
0
|
2
|
26.3
|
2
|
|
|
(4aS,6aS,6aS,6bR,8aR,9S,10R,11R,12R,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4.9
|
5
|
6
|
118.22
|
2
|
|
|
4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]benzaldehyde
|
505.60
|
4.3
|
0
|
8
|
75.69
|
8
|
|
|
Methyl oleanolate acetate
|
512.80
|
8.4
|
0
|
4
|
52.6
|
4
|
|
|
Indole-3-carboxaldehyde
|
145.16
|
1.7
|
1
|
1
|
32.86
|
1
|
|
|
Ochrocarpinone C
|
518.70
|
6.7
|
1
|
5
|
80.67
|
7
|
|
|
Isolongifolene
|
204.35
|
5
|
0
|
0
|
0
|
0
|
|
|
Digalactosyl diglyceride
|
458.50
|
-3.8
|
8
|
13
|
207.99
|
12
|
|
|
(13Z)-beta-Carotene
|
536.90
|
13.5
|
0
|
0
|
0
|
10
|
|
|
[(1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16,17-trihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate
|
544.60
|
1.6
|
3
|
9
|
142.89
|
4
|
|
|
Bufotenine
|
204.27
|
1.2
|
2
|
2
|
39.26
|
3
|
|
|
(1R,9Z,11S,13S,17R,25Z,27S,28Z,33S,35S,36S,38Z)-28,38-di(ethylidene)-8,14,24,30-tetrazaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene
|
552.70
|
4.3
|
0
|
4
|
12.96
|
0
|
|
|
2-[(3aS,6aS,7S,8R,10aR)-7-(carboxymethyl)-2,7-dimethyl-5-oxo-3a,6,6a,8,9,10-hexahydro-1H-cyclopenta[j]isochromen-8-yl]-2-methylpropanoic acid
|
364.40
|
2.3
|
2
|
6
|
100.9
|
4
|
|
|
Theanaphthoquinone
|
534.50
|
1.6
|
7
|
11
|
194.21
|
2
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen-13-one
|
456.70
|
6.4
|
2
|
3
|
57.53
|
1
|
|
|
(1S,4S,5R,8R,10R,11R,13S,14R,17S,18R,19S,20R)-10,11-dihydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
|
470.70
|
6.2
|
2
|
4
|
66.76
|
0
|
|
|
(1S,2S,4aR,5R,8R,8aS)-4a-methyl-2-propan-2-ylspiro[1,2,3,4,5,6,7,8a-octahydronaphthalene-8,2'-oxirane]-1,5-diol
|
254.36
|
2
|
2
|
3
|
52.99
|
1
|
|
|
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
|
640.50
|
-1.1
|
10
|
17
|
278.66
|
8
|
|
|
(2S)-5-(diaminomethylideneamino)-2-[[4-[[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid
|
640.80
|
2.3
|
4
|
9
|
199.84
|
12
|
|
|
(3S,4R,5S)-3-[9-[(5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one
|
640.90
|
8.8
|
4
|
8
|
125.68
|
25
|
|
|
2-[4,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
642.50
|
-2
|
12
|
18
|
309.89
|
7
|
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