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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-(2,4-Dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
|
336.30
|
3.8
|
2
|
5
|
79.9
|
1
|
|
|
(2S,4aS,10aR)-2,6-dihydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
332.40
|
2.9
|
3
|
4
|
77.76
|
2
|
|
|
5-[(2R,3R,4R,5S)-4-(3,5-dihydroxyphenyl)-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
|
472.50
|
4.3
|
6
|
7
|
130.61
|
4
|
|
|
[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
|
939.20
|
8.5
|
7
|
15
|
231.13
|
39
|
|
|
[(2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
|
939.20
|
8.5
|
7
|
15
|
231.13
|
39
|
|
|
(E)-5-[(1S,4aR,5R,8aR)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
|
362.50
|
5.4
|
1
|
4
|
63.6
|
7
|
|
|
1-[(3S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylideneazetidin-2-one
|
454.70
|
6.1
|
0
|
3
|
40.62
|
3
|
|
|
N-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methylbut-2-enamide
|
428.70
|
7.3
|
1
|
2
|
32.34
|
4
|
|
|
N-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methylbut-2-enamide
|
426.70
|
6.5
|
1
|
2
|
32.34
|
4
|
|
|
N-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methylbut-2-enamide
|
412.70
|
6.1
|
2
|
2
|
41.13
|
4
|
|
|
N-[(1S)-1-[(3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methylbut-2-enamide
|
412.70
|
6.1
|
2
|
2
|
41.13
|
4
|
|
|
N-[(3S,4S,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide
|
466.70
|
6.4
|
2
|
3
|
52.57
|
4
|
|
|
2,6,6,10-Tetramethyl-1-oxaspiro[4.5]dec-2-en-8-one
|
208.30
|
2.5
|
0
|
2
|
26.3
|
0
|
|
|
(4aR,6R,8aR,9aS)-6,9a-dihydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
|
264.32
|
0.6
|
2
|
4
|
66.76
|
0
|
|
|
2-[5-[[(3aS,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]oxy]-1H-indol-3-yl]-N,N-dimethylethanamine
|
376.50
|
3.8
|
2
|
4
|
43.53
|
5
|
|
|
(1S,2R,5S,9S,10S,11S,12S,13S)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-7-one
|
314.76
|
0.5
|
2
|
5
|
79.29
|
0
|
|
|
Clausine F
|
309.40
|
4.8
|
2
|
3
|
62.32
|
4
|
|
|
(1S,19R,20R,35R,37S)-6,7,8,11,12,13,24,25,29,29,30-undecahydroxy-37-methoxy-2,17,21,34,36,38-hexaoxaoctacyclo[17.16.1.120,35.126,30.04,9.010,15.022,27.028,33]octatriaconta-4,6,8,10,12,14,22(27),23,25,32-decaene-3,16,31-trione
|
758.50
|
-1
|
11
|
21
|
338.35
|
1
|
|
|
7,4'-Dimethoxy-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-methylflavone
|
370.40
|
3.4
|
2
|
6
|
89.13
|
4
|
|
|
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
756.70
|
-2.5
|
12
|
20
|
328.35
|
9
|
|
|
1-Oxoisochromene-5-carbaldehyde
|
174.15
|
1.4
|
0
|
3
|
47.28
|
1
|
|
|
[(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-3,5,6,8,14,17-hexahydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
|
572.70
|
1.4
|
7
|
9
|
167.91
|
6
|
|
|
[(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,6,8,14,17-pentahydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
|
702.80
|
1.3
|
8
|
12
|
206.6
|
8
|
|
|
[(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-5,6,8,14,17-pentahydroxy-17-[(1S)-1-hydroxyethyl]-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
|
847.00
|
1.7
|
8
|
15
|
234.29
|
11
|
|
|
[(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-5,6,8,14,17-pentahydroxy-17-[(1S)-1-hydroxyethyl]-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate
|
991.20
|
2.1
|
8
|
18
|
261.98
|
14
|
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