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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1R,4R,10R,11S,12S,14R,15R,19S)-12-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
|
3.1
|
0
|
6
|
74.97
|
4
|
|
|
methyl (1R,4R,10R,11S,12S,14R,15R,19S)-12-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
|
2.5
|
1
|
5
|
68.9
|
2
|
|
|
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-hydroxy-10,15-dimethyl-2-oxo-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
|
374.40
|
2.9
|
1
|
6
|
85.97
|
2
|
|
|
methyl (1R,4R,10R,11S,14R,15S,16S,19S)-16-acetyloxy-10,15-dimethyl-2-oxo-3,6-dioxapentacyclo[9.7.1.01,14.04,19.05,9]nonadeca-5(9),7-diene-15-carboxylate
|
416.50
|
3
|
0
|
7
|
92.04
|
4
|
|
|
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
|
452.60
|
7.4
|
2
|
4
|
66.76
|
9
|
|
|
4-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-methoxyphenol
|
356.40
|
3.8
|
2
|
5
|
68.15
|
5
|
|
|
4-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
|
300.40
|
5.4
|
0
|
2
|
26.3
|
2
|
|
|
3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
|
317.40
|
2.7
|
0
|
5
|
55.84
|
5
|
|
|
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
|
524.50
|
-1.3
|
7
|
13
|
208.13
|
8
|
|
|
(1R,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
302.50
|
5.7
|
1
|
2
|
37.3
|
4
|
|
|
(1R,11S)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
|
220.35
|
3.8
|
0
|
1
|
12.53
|
0
|
|
|
4-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-enyl]phenol
|
326.40
|
3.8
|
2
|
4
|
58.92
|
4
|
|
|
(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol
|
316.30
|
2.2
|
4
|
5
|
90.15
|
6
|
|
|
(2S,3S)-3,5-bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,2-diol
|
346.40
|
2.2
|
4
|
6
|
99.38
|
7
|
|
|
[(1R,2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,15-dimethyl-9-methylidene-14-oxo-8-(3-phenylprop-2-enoyloxy)-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-5-yl]methyl benzoate
|
816.80
|
3.5
|
1
|
15
|
204.33
|
16
|
|
|
(2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
478.40
|
0.6
|
8
|
13
|
227.58
|
4
|
|
|
7-Hydroxy-3-(thiophen-2-yl)isobenzofuran-1(3H)-one
|
232.26
|
3
|
1
|
4
|
74.77
|
1
|
|
|
Uralenneoside
|
286.23
|
-1
|
5
|
8
|
136.68
|
3
|
|
|
(4E,5S)-5-(2-hydroxyethyl)-3-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclopent-2-en-1-one
|
492.50
|
-4.1
|
8
|
13
|
215.83
|
7
|
|
|
(1R,5R,6S,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,5,6-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
|
642.90
|
11.3
|
3
|
6
|
111.9
|
12
|
|
|
Cardol triene
|
314.50
|
7.2
|
2
|
2
|
40.46
|
12
|
|
|
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(2R)-5-oxopyrrolidin-2-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
|
539.60
|
0.5
|
2
|
9
|
117.64
|
7
|
|
|
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(2S)-5-oxopyrrolidin-2-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
|
539.60
|
0.5
|
2
|
9
|
117.64
|
7
|
|
|
[(2R,3S,4R,5R,6S)-6-(4-formylphenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
430.40
|
1.3
|
4
|
9
|
142.75
|
8
|
|
|
Isocaffeine
|
194.19
|
-0.1
|
0
|
3
|
61.82
|
0
|
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