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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
CID 155523052
|
3594.50
|
8.3
|
54
|
100
|
1665.96
|
33
|
|
|
(1S,2S,3R,5S,9S)-4,15-dioxa-8-azapentacyclo[7.6.1.01,12.02,8.03,5]hexadeca-10,12-dien-14-one
|
231.25
|
0.1
|
0
|
4
|
42.07
|
0
|
|
|
methyl (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-4a-carboxylate
|
360.40
|
4.1
|
2
|
5
|
83.83
|
3
|
|
|
(1S,2R,3R,4R,7S,10S,12R,14S,15R,17R,19S,20R)-3,4,10,20-tetrahydroxy-15-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icos-8-en-5-one
|
520.50
|
-1.1
|
4
|
11
|
164.51
|
2
|
|
|
(1S,2S,4R,8S,11R,12R)-8,14,16-trihydroxy-3,3,11-trimethyl-7-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
|
490.60
|
5.8
|
3
|
6
|
104.06
|
3
|
|
|
[(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-15-pentanoyloxy-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] pentanoate
|
750.90
|
6.8
|
0
|
12
|
153.87
|
17
|
|
|
(1'S,2R,4R,5'S,9'R)-5,5',7-trihydroxy-10',10'-dimethyl-6'-methylidene-4-phenylspiro[3,4-dihydrochromene-2,2'-bicyclo[7.2.0]undecane]-6,8-dicarbaldehyde
|
490.60
|
5.7
|
3
|
6
|
104.06
|
3
|
|
|
(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyheptadecanoic acid
|
1373.40
|
-5.6
|
20
|
35
|
550.89
|
33
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(2,7-dihydroxy-9,10-dihydrophenanthren-1-yl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
480.50
|
2.9
|
6
|
8
|
139.84
|
5
|
|
|
(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R,5S,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
|
474.70
|
5.9
|
3
|
4
|
77.76
|
6
|
|
|
[(1R)-1-[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-15-(cyclopropanecarbonyloxy)-8-(furan-3-yl)-1,3,7-trimethyl-19-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-methoxy-2-oxoethyl] cyclopropanecarboxylate
|
718.80
|
4.9
|
0
|
12
|
153.87
|
13
|
|
|
(5E)-5-[(7aS)-4,4,7a-trimethyl-2-oxo-6,7-dihydro-5H-inden-1-ylidene]-3-propan-2-ylfuran-2-one
|
300.40
|
4.4
|
0
|
3
|
43.37
|
1
|
|
|
[(1S,3S,8E,10R,12S,16S)-5-(acetyloxymethyl)-16-hydroxy-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadeca-4,8-dien-3-yl] 2-methylprop-2-enoate
|
420.40
|
-0.2
|
1
|
9
|
117.59
|
6
|
|
|
(2S)-3-hydroxy-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2-(4-methoxyphenyl)propan-1-one
|
370.40
|
4.6
|
2
|
5
|
75.99
|
8
|
|
|
(1S,4aR,10aS,11aR,11bR)-1-hydroxy-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
316.40
|
3.2
|
1
|
3
|
46.53
|
0
|
|
|
[(1S,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methylbutanoate
|
490.60
|
4.9
|
1
|
7
|
91.29
|
10
|
|
|
[(2S,3R,4S,5S,6R)-2-[[(1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]decanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
514.60
|
5
|
3
|
7
|
105.45
|
8
|
|
|
(1S,2S,3R,4R,7S,8S,10S,12R,14S,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,8,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one
|
476.50
|
-0.2
|
4
|
9
|
142.12
|
1
|
|
|
(2Z)-2-[(1R,3S,5R,6S,10R)-6-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-10-(3-hydroxypropyl)-1-methoxy-6-methyl-2-oxaspiro[4.5]decan-9-ylidene]propanal
|
516.70
|
3.8
|
3
|
6
|
96.22
|
9
|
|
|
[(1R,2R,3R,4S,7R,8R,15S,17S,19S)-8-(furan-3-yl)-15-hydroxy-2-(2-methoxy-2-oxoacetyl)-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-19-yl] (E)-2-methylbut-2-enoate
|
580.60
|
3.1
|
1
|
10
|
138.57
|
7
|
|
|
[(1S,3S,8E,10R,12S,16S)-16-hydroxy-5-(methoxymethyl)-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadeca-4,8-dien-3-yl] 2-methylprop-2-enoate
|
392.40
|
-0.2
|
1
|
8
|
100.52
|
5
|
|
|
[(1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl butanoate
|
406.60
|
3.2
|
2
|
5
|
83.83
|
6
|
|
|
(1S,11R,12R,13R)-11-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-2,4,7,9-tetraene-6,15-dione
|
310.30
|
0.4
|
1
|
4
|
63.6
|
0
|
|
|
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4-acetyloxy-9-hydroxy-3,6,6,10,14-pentamethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-13-yl] benzoate
|
594.70
|
4.5
|
1
|
9
|
128.73
|
8
|
|
|
(1S,4S,4aR,10aR,11aR,11bS)-1-hydroxy-4-(hydroxymethyl)-4,8,11b-trimethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one
|
332.40
|
2
|
2
|
4
|
66.76
|
1
|
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