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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
624.50
|
2.2
|
7
|
14
|
225.81
|
9
|
|
|
4-[(E)-3-icosoxy-3-oxoprop-1-enyl]benzoic acid
|
472.70
|
11.6
|
1
|
4
|
63.6
|
23
|
|
|
4-[(E)-3-docosoxy-3-oxoprop-1-enyl]benzoic acid
|
500.80
|
12.7
|
1
|
4
|
63.6
|
25
|
|
|
(3R)-5,7-dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
384.40
|
4.3
|
3
|
7
|
105.45
|
3
|
|
|
5,7-Dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-6-(3-methylbut-2-enyl)chromen-4-one
|
382.40
|
4.4
|
3
|
7
|
109.36
|
3
|
|
|
4-(6,7-dihydrofuro[2,3-f][1,3]benzodioxol-6-yl)-2-[(E)-4-hydroxy-3-methylbut-2-enyl]benzene-1,3-diol
|
356.40
|
3.2
|
3
|
6
|
88.38
|
4
|
|
|
5,7-Dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6,8-dimethylchromen-4-one
|
356.30
|
3.5
|
3
|
7
|
109.36
|
2
|
|
|
(1S,2R,5S,6S,7R,9R,11S,12S,14S,15R,16S)-15-[(1R,2R)-1-[(2R,3R,4R)-3,4-dimethyl-5-oxooxolan-2-yl]-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
|
536.70
|
1.7
|
4
|
9
|
146.05
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
803.00
|
2.7
|
10
|
14
|
239.22
|
11
|
|
|
(1S,2R,3S,4R,5R,6S,8R,9S,10R,13R,14R,16S,17S,18R)-8-amino-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,14-triol
|
482.60
|
-1.8
|
4
|
9
|
126.87
|
6
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aR,7S,8aS,10aS)-7-(1,2-dihydroxyethyl)-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
|
498.60
|
1.4
|
6
|
9
|
156.91
|
6
|
|
|
[(3aE,9Z)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate
|
358.50
|
3.8
|
0
|
4
|
60.44
|
3
|
|
|
(1S,4R,7S,8R,13S,14S,16R)-13-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one
|
344.40
|
1.6
|
1
|
5
|
64.99
|
1
|
|
|
squamocin-C
|
622.90
|
9.3
|
3
|
7
|
105.45
|
25
|
|
|
(1S,3R,7R,10S,12S,13R,15S,17R,18S,21S,22R,23R,25S,29R)-12,22,23-trihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,14,19,24-tetrone
|
576.60
|
-1.2
|
3
|
12
|
175.12
|
0
|
|
|
ethyl (1R,3S,4R,7S,8S,11S,12S,15S,16S)-16-(furan-3-yl)-12-hydroxy-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.01,15.03,11.04,8]nonadecane-7-carboxylate
|
516.50
|
1.3
|
1
|
10
|
138.57
|
4
|
|
|
4-[(2S,3R,4R,5R)-1-[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]-2,3,4,5,6-pentahydroxyhexyl]-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
|
1062.90
|
-5.4
|
21
|
27
|
511.57
|
15
|
|
|
1-hydroxy-2,6-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
|
450.40
|
0.9
|
5
|
11
|
168.28
|
5
|
|
|
Isolintetralin
|
400.50
|
3.6
|
0
|
6
|
55.38
|
7
|
|
|
(Z)-3-methyl-4-[(1S,6S)-1,4,6-trimethyl-2-oxocyclohept-3-en-1-yl]but-2-enoic acid
|
250.33
|
2.9
|
1
|
3
|
54.37
|
3
|
|
|
[(1S,2R,4R,7Z,10S,11R)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] acetate
|
306.40
|
1.9
|
0
|
5
|
65.13
|
2
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl 4-hydroxybenzoate
|
394.30
|
-0.5
|
4
|
10
|
155.89
|
6
|
|
|
(2E)-2-[(1R,4aS,4bR,8aS,10aS)-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]ethanol
|
290.50
|
5.7
|
1
|
1
|
20.23
|
1
|
|
|
(5R,5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
548.50
|
-0.6
|
6
|
13
|
193.83
|
5
|
|
|
Ptaquiloside Z
|
412.50
|
-1
|
5
|
8
|
136.68
|
3
|
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