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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Oleoyl neocryptotanshinone
|
578.80
|
11.1
|
1
|
5
|
80.67
|
19
|
|
|
(2S)-4-[(2S)-2-hydroxy-12-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one
|
578.90
|
9.8
|
2
|
6
|
85.22
|
23
|
|
|
(2S)-4-[(2S)-2-hydroxy-12-[(2R,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one
|
578.90
|
9.8
|
2
|
6
|
85.22
|
23
|
|
|
(-)-Mulberrofuran J
|
580.60
|
6
|
7
|
9
|
171.82
|
5
|
|
|
(+)-Lyoniresinol 9'-O-glucoside
|
582.60
|
0.4
|
7
|
13
|
196.99
|
10
|
|
|
Plicatic acid
|
422.40
|
0.9
|
7
|
10
|
177.14
|
5
|
|
|
(2S)-4-[[(2R,5R)-5-[(8R)-8-hydroxy-8-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one
|
592.80
|
7.9
|
2
|
7
|
102.29
|
23
|
|
|
Segetalin A
|
609.70
|
2
|
6
|
6
|
181.6
|
4
|
|
|
6'',7''-Dihydro-5',5'''-dicapsaicin
|
610.80
|
7.7
|
4
|
6
|
117.12
|
20
|
|
|
Xylomatenin
|
622.90
|
8.8
|
4
|
7
|
116.45
|
27
|
|
|
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
624.50
|
2.4
|
7
|
14
|
225.81
|
9
|
|
|
7-Ethyl-10-hydroxycamptothecin
|
392.40
|
1.4
|
2
|
6
|
101.65
|
2
|
|
|
Yadanzioside I
|
642.60
|
-2.4
|
6
|
16
|
245.04
|
7
|
|
|
Ergovaline
|
533.60
|
1.4
|
3
|
6
|
118.21
|
3
|
|
|
Procumbenoside A
|
644.60
|
0.1
|
5
|
15
|
201.29
|
8
|
|
|
Jacarelhyperol A
|
668.60
|
5.5
|
6
|
13
|
209.49
|
3
|
|
|
(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid
|
668.60
|
-0.2
|
7
|
16
|
256.04
|
7
|
|
|
(6aS)-8-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
|
668.80
|
6
|
2
|
10
|
102.32
|
9
|
|
|
(1S,8R,9S,12S,15R,16R)-8-hydroxy-1,12-dimethyl-6-propan-2-yl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
672.70
|
-3
|
8
|
16
|
255.27
|
7
|
|
|
4-[N-(p-Coumaroyl)serotonin-4''-yl]-N-feruloylserotonin
|
672.70
|
5.7
|
8
|
7
|
179.93
|
12
|
|
|
4,4''-bis(N-feruloyl)serotonin
|
702.70
|
5.6
|
8
|
8
|
189.16
|
13
|
|
|
Rimonabant
|
463.80
|
6.5
|
1
|
3
|
50.16
|
4
|
|
|
kaempferol 3-O-[alpha-L-rhamnopyranosyl(1->2)-beta-D-glucopyranosyl]-7-O-alpha-L-rhamnopyranoside
|
740.70
|
-1.7
|
11
|
19
|
308.12
|
8
|
|
|
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,11,16-triacetyloxy-8-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-5-[(E)-3-phenylprop-2-enoyl]oxy-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] benzoate
|
760.80
|
3.4
|
2
|
13
|
181.19
|
14
|
|
|
3-[(3R,10S,13R,14S,16R,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
780.90
|
1.5
|
6
|
14
|
203.06
|
7
|
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