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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Jinflexin A
|
298.40
|
3.9
|
2
|
3
|
49.69
|
2
|
|
|
4-Ethenyl-8-(hydroxymethyl)-7-methoxy-3-methyl-9,10-dihydrophenanthren-2-ol
|
296.40
|
3.7
|
2
|
3
|
49.69
|
3
|
|
|
Jinflexin D
|
512.60
|
9.3
|
3
|
3
|
60.69
|
1
|
|
|
(1R,6R,11R,12R,15R,16R)-6-hydroxy-15-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
|
488.70
|
5
|
3
|
5
|
94.83
|
6
|
|
|
(1R,6R,11R,12R,15R,16R)-15-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7,7,16-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
|
650.80
|
3.4
|
6
|
10
|
173.98
|
9
|
|
|
(1R,6R,8R,11R,12R,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-6-hydroxy-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid
|
490.70
|
5.5
|
4
|
5
|
97.99
|
6
|
|
|
(3R,5R,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
|
652.90
|
3.4
|
7
|
10
|
177.14
|
9
|
|
|
(3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-hydroxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
|
573.70
|
4
|
4
|
6
|
127
|
6
|
|
|
(3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
|
587.70
|
4.3
|
3
|
6
|
116
|
7
|
|
|
(3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-methylpentanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
|
484.60
|
4
|
2
|
5
|
90.98
|
6
|
|
|
(2S)-N-[(3S,4S,7S,10Z)-7-[hydroxy(phenyl)methyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide
|
670.80
|
5.2
|
4
|
6
|
137.07
|
7
|
|
|
2-[(1S,2R)-4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]-1-(4-hydroxy-2-methoxyphenyl)ethanone
|
372.40
|
2.4
|
4
|
6
|
107.22
|
5
|
|
|
methyl 2-[(1S,2S)-4,5-dihydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
|
402.40
|
2.6
|
4
|
7
|
116.45
|
6
|
|
|
2-[(1R,2S)-4,5-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]-1-(4-hydroxy-2-methoxyphenyl)ethanone
|
372.40
|
2.4
|
4
|
6
|
107.22
|
5
|
|
|
methyl 2-[(1S,2R)-4,5-dihydroxy-7-(4-hydroxy-2-methoxyphenyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1H-inden-1-yl]acetate
|
402.40
|
2.6
|
4
|
7
|
116.45
|
6
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
|
504.40
|
1
|
4
|
12
|
174.35
|
8
|
|
|
(3S)-6,8-dihydroxy-3-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydroisochromen-1-one
|
300.30
|
3.7
|
3
|
5
|
86.99
|
3
|
|
|
[(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxymethanimidate
|
394.34
|
-4.6
|
7
|
11
|
260.61
|
5
|
|
|
[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxymethanimidate
|
394.34
|
-4.6
|
7
|
11
|
260.61
|
5
|
|
|
[(1S,3R,4S,5S,6R,8R,10S,22R,23S,24R,25R,27R,30R,31S,32S,33R)-33-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5,24,31,32-pentahydroxy-6,25-dimethyl-20-oxo-10-propyl-2,7,9,21,26,28,34-heptaoxatetracyclo[28.3.1.03,8.022,27]tetratriacontan-23-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
|
969.10
|
0.9
|
8
|
22
|
314.58
|
10
|
|
|
[(1S,3S,5R,6R,7S,8R,20S,22R,24R,25S,26S,27R,29S,31R,32R,33R)-33-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propyl-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] (2R,3R)-3-hydroxy-2-methylbutanoate
|
953.10
|
1.9
|
7
|
21
|
294.35
|
10
|
|
|
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate
|
991.10
|
3.6
|
7
|
21
|
294.35
|
13
|
|
|
[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5R,6S)-4-hydroxy-2-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23R,24R,26R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] (E)-2-methylbut-2-enoate
|
1019.20
|
4.7
|
7
|
21
|
294.35
|
15
|
|
|
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-hydroxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
|
360.40
|
3.2
|
1
|
5
|
68.9
|
2
|
|
|
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-acetyloxy-10,15-dimethyl-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
|
402.50
|
3.3
|
0
|
6
|
74.97
|
4
|
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