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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
17,17-Dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2(10),4(9),5,7,14(19),15,20-octaen-6-ol
|
320.30
|
4.1
|
1
|
4
|
51.83
|
0
|
|
|
(E)-6-[(1'S,3S,6R,7S,7aS)-7-(3-methoxy-3-oxopropyl)-1'-methyl-3'-methylidene-6-prop-1-en-2-ylspiro[1,2,5,6,7,7a-hexahydroindene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohex-2-enoic acid
|
468.60
|
5.4
|
1
|
5
|
80.67
|
10
|
|
|
(2R)-2-[(1R,2R,3S)-1,2,3-trihydroxyhexyl]-2,3-dihydropyran-6-one
|
230.26
|
0.1
|
3
|
5
|
86.99
|
5
|
|
|
(E,4R,6R)-4-hydroxy-2-methyl-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid
|
470.70
|
6.9
|
2
|
4
|
74.6
|
5
|
|
|
(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
765.00
|
4.8
|
7
|
12
|
195.6
|
6
|
|
|
(2S,3S)-3-(2-hydroxyethylamino)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-3-(3,4,5-trimethoxyphenyl)propan-1-ol
|
493.50
|
1.3
|
4
|
10
|
128.1
|
15
|
|
|
[(8R,9S,10R,13R,14R,17S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-14,17-dihydroxy-10-methyl-1-oxo-4,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-13-yl]methyl acetate
|
528.60
|
1.8
|
3
|
8
|
130.36
|
5
|
|
|
(1R,2R,4S,10R,13S,15R)-15-methyl-6-azapentacyclo[8.6.0.01,6.02,13.04,10]hexadecan-11-one
|
245.36
|
2.1
|
0
|
2
|
20.31
|
0
|
|
|
methyl (E)-3-[4-[(3S)-4-hydroxy-3-methylbutoxy]phenyl]prop-2-enoate
|
264.32
|
2.6
|
1
|
4
|
55.76
|
8
|
|
|
(2S)-4-[4-(3-hydroxypropyl)phenoxy]-2-methylbutan-1-ol
|
238.32
|
2.3
|
2
|
3
|
49.69
|
8
|
|
|
[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
812.80
|
-1.2
|
10
|
20
|
310.28
|
16
|
|
|
Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh
|
754.70
|
-1.4
|
10
|
18
|
283.98
|
14
|
|
|
cyclo[Gln-Thr-Pro-Ile-Ser-Pro-Pro-Tyr-Phe]
|
1031.20
|
1
|
10
|
13
|
339.31
|
11
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aS)-7-acetyloxy-4a,5-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
552.50
|
-0.9
|
6
|
13
|
201.67
|
9
|
|
|
(1S,4S,8S,11S,12S)-1,6,6,8-tetramethyl-7-oxatricyclo[6.3.1.04,12]dodecan-11-ol
|
238.37
|
2.8
|
1
|
2
|
29.46
|
0
|
|
|
(4R)-4-hydroxy-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-2-en-1-one
|
184.23
|
-0.3
|
2
|
3
|
57.53
|
1
|
|
|
[(1S,4aR,7S,10aR,11bR)-1-hydroxy-4,4,8,11b-tetramethyl-9-oxo-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-yl] acetate
|
374.50
|
2.4
|
1
|
5
|
72.83
|
2
|
|
|
(1S,3R,8R,10S,11R,12S,16R)-12-hydroxy-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-6-one
|
332.40
|
2.4
|
1
|
4
|
59.06
|
0
|
|
|
Eurifoloid M
|
300.40
|
1.5
|
1
|
3
|
54.37
|
0
|
|
|
(1S,4S,5R,8R,10S,11R,13R,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]tetracosane-16,23-dione
|
486.70
|
5.5
|
2
|
5
|
83.83
|
0
|
|
|
(1S,4S,5R,8R,10S,11R,13R,14R,17S,18R)-10,11-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-16,23-dione
|
486.70
|
5.5
|
2
|
5
|
83.83
|
0
|
|
|
(2R,4aR,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
488.70
|
4.9
|
4
|
5
|
97.99
|
2
|
|
|
(5S)-1,3-dimethoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-4-one
|
369.50
|
6
|
0
|
4
|
40.46
|
8
|
|
|
(5S,8R)-1,3,8-trimethoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydroquinolin-4-one
|
399.50
|
5.2
|
0
|
5
|
49.69
|
9
|
|
|
(5S,8R)-1,3,8-trimethoxy-2-methyl-5-octyl-5,6,7,8-tetrahydroquinolin-4-one
|
365.50
|
5.5
|
0
|
5
|
49.69
|
10
|
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