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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Abbeokutone
|
320.50
|
3
|
2
|
3
|
57.53
|
1
|
|
|
[(1S,12R,13S,14R)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-3-phenylprop-2-enoate
|
546.60
|
3.7
|
1
|
9
|
109.75
|
6
|
|
|
[(2S,3R,4S,5S,6R)-2-[2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate
|
514.60
|
4.1
|
3
|
7
|
105.45
|
8
|
|
|
[(1S,2R,3aR,5R,6E,11R,12E,13aS)-3a-acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
|
600.70
|
6.2
|
0
|
8
|
113.04
|
8
|
|
|
(4S,5R,6R,7S,8R,14R,16R,19S)-16-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxy-8-(4-methoxyphenyl)-7-phenyl-9,13,15,18-tetraoxapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),11-triene-6-carboxamide
|
607.60
|
0.3
|
5
|
11
|
179.39
|
7
|
|
|
H-Trp-Gln-Glu-Leu-Tyr-Gln-Leu-Lys-Tyr-OH
|
1270.40
|
-4.4
|
17
|
18
|
501.87
|
40
|
|
|
(1S,2S,6S,8R,10R,11S,14R,15R)-1,7,7,11,15-pentamethyl-14-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]pentacyclo[8.7.0.02,6.06,8.011,15]heptadecane-5,9-dione
|
436.70
|
7.7
|
0
|
2
|
34.14
|
4
|
|
|
(2E)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-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
|
|
|
(2R,3R,4R,5R,6S)-2-[[(3S,6S,7S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(E,2R,4R)-4-hydroxy-5-propan-2-ylhept-5-en-2-yl]-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadec-1(18)-enyl]oxy]-6-methyloxane-3,4,5-triol
|
618.90
|
5.9
|
5
|
7
|
119.61
|
7
|
|
|
(1R,11R,12S,13R)-11,12-dihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
|
328.40
|
-0.8
|
2
|
5
|
83.83
|
0
|
|
|
(3S,3aR,5S,6S,7S,7aS)-5-[(E,2R)-5,5-dimethyl-6-oxohept-3-en-2-yl]-5,6-dihydroxy-3,7-dimethyl-3a,6,7,7a-tetrahydro-3H-inden-4-one
|
334.40
|
2.3
|
2
|
4
|
74.6
|
4
|
|
|
8-(4,7-Dihydroxy-2,8-dimethoxyphenanthren-1-yl)-1,7-dimethoxyphenanthrene-2,5-diol
|
538.50
|
7
|
4
|
8
|
117.84
|
5
|
|
|
(1S,2S,6S,7S,9R,13S,14R,15R,17S)-15-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11,16-trione
|
376.40
|
2.1
|
1
|
6
|
89.9
|
1
|
|
|
ethyl (2R)-2-[(1R,2R,3R,4S,7R,8R,15S,17S,19S)-8-(furan-3-yl)-15,19-dihydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-hydroxyacetate
|
514.60
|
1.5
|
3
|
9
|
135.66
|
5
|
|
|
(4S,5R,6R,7S,8R,14R,16R,19S)-16-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxy-8-(4-methoxyphenyl)-7-phenyl-9,13,15,18-tetraoxapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),11-triene-6-carboxamide
|
607.60
|
0.3
|
5
|
11
|
179.39
|
7
|
|
|
[(2R,5S,7R,8S,9S,10S,11S,14R)-8-acetyloxy-5-ethenyl-7,9,14-trihydroxy-5,11-dimethyl-4-oxo-16-oxatetracyclo[7.5.2.01,10.02,7]hexadecan-11-yl]methyl benzoate
|
528.60
|
1.8
|
3
|
9
|
139.59
|
7
|
|
|
(1R,9R,10S,12R,13E)-5,7-dihydroxy-12-(2-hydroxypropan-2-yl)-1-methyl-15-methylidene-9-(2-methylpropyl)-2-oxatricyclo[8.8.0.03,8]octadeca-3,5,7,13-tetraene-4,6-dicarbaldehyde
|
470.60
|
5.8
|
3
|
6
|
104.06
|
5
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3R)-7-methoxy-5-[(E)-3-methoxyprop-1-enyl]-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxane-3,4,5-triol
|
488.50
|
1.2
|
4
|
9
|
127.07
|
9
|
|
|
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(2-ethoxy-2-oxoethyl)but-2-enoic acid
|
362.50
|
5.3
|
1
|
4
|
63.6
|
7
|
|
|
[(Z,3R)-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl] acetate
|
268.30
|
1.6
|
1
|
5
|
72.83
|
7
|
|
|
2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-ethylethanimine oxide
|
376.50
|
2.3
|
1
|
5
|
68
|
6
|
|
|
(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,15-dione
|
556.60
|
-0.5
|
6
|
12
|
192.44
|
4
|
|
|
(2S,3S)-3-hydroxy-2-[(Z,3S)-3-hydroxyhept-1-enyl]-2,3-dihydropyran-6-one
|
226.27
|
1.1
|
2
|
4
|
66.76
|
5
|
|
|
[(1R,3E,5R,7S,9S,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-4-carboxylate
|
643.70
|
5.4
|
0
|
10
|
135.16
|
10
|
|
|
(4S,5R,6R,7S,8R,14S,16R,19R)-16-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-methoxy-8-(4-methoxyphenyl)-7-phenyl-9,13,15,18-tetraoxapentacyclo[10.7.0.03,10.04,8.014,19]nonadeca-1,3(10),11-triene-6-carboxamide
|
607.60
|
0.3
|
5
|
11
|
179.39
|
7
|
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