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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one
|
382.80
|
0.1
|
4
|
7
|
120.36
|
4
|
|
|
[(2R,3S,4S,5R,6R)-6-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
|
450.40
|
-0.5
|
6
|
10
|
166.14
|
9
|
|
|
[4-Hydroxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate
|
328.40
|
5.1
|
3
|
5
|
86.99
|
5
|
|
|
4-Hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate
|
358.40
|
5.1
|
3
|
6
|
96.22
|
6
|
|
|
(3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid
|
280.32
|
0.9
|
3
|
5
|
94.83
|
1
|
|
|
(3aS,3bR,5S,6aS,7aR)-2-hydroxy-3,3a,5-trimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carboxylic acid
|
264.32
|
1.7
|
2
|
4
|
74.6
|
1
|
|
|
methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate
|
294.34
|
1.3
|
2
|
5
|
83.83
|
2
|
|
|
[(1R,2R,3S,4S)-2-(2,4-dihydroxybenzoyl)-3,4-diphenylcyclobutyl]-(2,4-dihydroxyphenyl)methanone
|
480.50
|
5.9
|
4
|
6
|
115.06
|
6
|
|
|
[(2R,3S,4R,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
640.60
|
-1.6
|
10
|
16
|
265.52
|
11
|
|
|
[(2R,3S,4R,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
640.60
|
-1.6
|
10
|
16
|
265.52
|
11
|
|
|
(2E,4E)-8-(beta-D-Glucopyranosyloxy)-2,7-dimethyldeca-2,4-dienedioic acid
|
404.40
|
-0.4
|
6
|
10
|
173.98
|
10
|
|
|
Cadina-1(10),4-diene
|
204.35
|
3.8
|
0
|
0
|
0
|
1
|
|
|
[(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,46-pentadecahydroxy-4,17,22,40,44-pentaoxo-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaen-37-yl] 3,4,5-trihydroxybenzoate
|
1086.70
|
1.6
|
18
|
30
|
521.94
|
3
|
|
|
methyl (E)-2-[(2S,3R,7aR,12bR)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
|
414.50
|
2.3
|
1
|
7
|
80.59
|
6
|
|
|
methyl (E)-2-[(3S,6'S,7'S,8'aR)-6'-ethenyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
|
398.50
|
1.7
|
2
|
6
|
88.1
|
5
|
|
|
methyl (E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
|
400.50
|
2
|
2
|
6
|
88.1
|
5
|
|
|
3-[[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
536.60
|
3.9
|
3
|
9
|
123.91
|
9
|
|
|
(3R,4S,6S,9Z)-4-bromo-9-(chloromethylidene)-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undecan-10-one
|
347.67
|
3.4
|
1
|
2
|
37.3
|
0
|
|
|
(3R,4S,6S,9R,10S)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-3,9-diol
|
351.70
|
3.3
|
2
|
2
|
40.46
|
0
|
|
|
(3S,6R)-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
|
254.79
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
1,3,7-Trihydroxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methylbutyl)-xanthone
|
398.40
|
4.9
|
4
|
6
|
111.13
|
5
|
|
|
(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8a-[(2S,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]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
|
973.10
|
0.6
|
12
|
20
|
332.28
|
11
|
|
|
N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
|
405.60
|
7.9
|
1
|
3
|
47.56
|
18
|
|
|
(1S,16S,19R,21S)-8,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene
|
331.40
|
5.8
|
1
|
1
|
25.02
|
0
|
|
|
(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-[(E)-3-[(1R)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethoxy]-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid
|
522.50
|
3.1
|
6
|
11
|
191.05
|
9
|
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