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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,4R,6S,8S,11S,12S,13R,16S,17R)-6,17-dihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadec-9-ene-15,18-dione
|
332.40
|
0.6
|
2
|
5
|
83.83
|
0
|
|
|
(1R,3R,4S,5R)-4-[(1R,5R,6R,7S)-7-(3,4-dihydroxyphenyl)-1-(hydroxymethyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carbonyl]oxy-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxycyclohexane-1-carboxylic acid
|
642.60
|
-0.1
|
8
|
15
|
257.81
|
10
|
|
|
(1R,6R,8S,11R,12R,15R,16R)-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxytetracyclo[9.7.0.03,8.012,16]octadec-3-ene-12-carboxylic acid
|
754.90
|
2.5
|
8
|
13
|
215.83
|
10
|
|
|
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
|
376.50
|
7.9
|
0
|
2
|
18.46
|
9
|
|
|
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-pyridin-2-ylethyl carbonate
|
463.50
|
5.8
|
0
|
7
|
87.86
|
9
|
|
|
(1S,2S,8aS)-1-[[(1R,4aR,8aS)-6-methoxy-8a-(7-methoxy-4-oxochromen-2-yl)-2-methyl-5,8-dioxo-4,4a-dihydro-1H-naphthalen-1-yl]methyl]-1,5,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid
|
614.70
|
5.7
|
1
|
8
|
120.11
|
6
|
|
|
(1R,4R,5R,8R,10S,13R,14R,17R,18S,19S,20R,24R)-10,24-dihydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.01,18.04,17.05,14.08,13]tetracosan-22-one
|
472.70
|
6.7
|
2
|
4
|
66.76
|
0
|
|
|
(10aS)-1-ethenyl-7,10a-dihydroxy-2,8-dimethyl-9,10-dihydrophenanthren-3-one
|
282.30
|
2.1
|
2
|
3
|
57.53
|
1
|
|
|
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate
|
396.50
|
5.9
|
0
|
5
|
65.74
|
6
|
|
|
dimethyl (3aS,8bS)-8b-hydroxy-6-methoxy-3a-methyl-1,2-dihydropyrrolo[2,3-b]indole-3,4-dicarboxylate
|
336.34
|
0.8
|
1
|
6
|
88.54
|
3
|
|
|
(1R,11R,13R,14R,15R,16R)-15-ethyl-13-(hydroxymethyl)-7-methoxy-17-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.011,16]octadeca-2(10),4(9),5,7-tetraen-12-one
|
354.40
|
2.7
|
2
|
4
|
65.56
|
3
|
|
|
(5S)-1-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxydecan-3-one
|
310.40
|
2.7
|
3
|
5
|
86.99
|
10
|
|
|
[(2S,4aS,6aS,7R,9S,10R,10aR,10bS)-10-acetyloxy-2-(furan-3-yl)-4a,9-dihydroxy-10b-methyl-4-oxo-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-7-yl] (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
|
732.70
|
1
|
6
|
16
|
241.11
|
11
|
|
|
[(1R,2R,3R,7S,8R,9S,11S,13R)-1,2,9-trihydroxy-9,13-dimethyl-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-8-yl] 2-methylpropanoate
|
384.40
|
0.8
|
3
|
8
|
122.52
|
3
|
|
|
(2Z)-2-[(1R,3R,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
|
484.70
|
4.2
|
2
|
5
|
75.99
|
5
|
|
|
[(1S)-1-[(2S,5R)-5-[(S)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]oxolan-2-yl]ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
|
402.40
|
3
|
1
|
7
|
91.29
|
8
|
|
|
2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl N-[2-(4-fluorophenyl)ethyl]carbamate
|
479.50
|
6.3
|
1
|
6
|
77.77
|
8
|
|
|
2-hydroxy-3-[(2E,6S)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-4-methoxy-6-(2-phenylethyl)benzoic acid
|
424.50
|
6.6
|
3
|
5
|
86.99
|
11
|
|
|
2,5,7-trihydroxy-6,8-dimethyl-2-[(Z)-pentadec-10-enyl]-3H-chromen-4-one
|
432.60
|
8.1
|
3
|
5
|
86.99
|
13
|
|
|
7,10,12-Trihydroxy-2,2-dimethyl-8-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one
|
394.40
|
5.3
|
3
|
6
|
100.13
|
2
|
|
|
(1R,6R,11R,12R,15R,16R)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-15-[(2R,5S)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-7,7,16-trimethyltetracyclo[9.7.0.03,8.012,16]octadec-3(8)-ene-12-carboxylic acid
|
827.00
|
2
|
8
|
15
|
242.13
|
13
|
|
|
4-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
|
257.28
|
1.7
|
3
|
3
|
69.56
|
4
|
|
|
methyl (1S,3'S,12R,14S,15R,16S,19S)-12-[(2R,3E,5R,12bS)-3-ethylidene-9-hydroxy-2-(2-hydroxyethyl)-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-8-yl]-3',20-dimethylspiro[17-oxa-10,20-diazapentacyclo[14.3.1.03,11.04,9.014,19]icosa-3(11),4,6,8-tetraene-15,2'-oxirane]-19-carboxylate
|
707.90
|
3.8
|
4
|
7
|
123.34
|
5
|
|
|
(7aR,11aR)-3-(3,4-dihydroxyphenyl)-6-hydroxy-8,8,11a-trimethyl-7a,9,10,11-tetrahydro-7H-pyrano[2,3-c]xanthen-1-one
|
422.50
|
4.8
|
3
|
6
|
100.13
|
1
|
|
|
(1S,4R,6R,8S,11S,12S,13R,16S,17R)-6,17-dihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadec-9-ene-15,18-dione
|
332.40
|
0.6
|
2
|
5
|
83.83
|
0
|
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