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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aR,5R,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
|
306.40
|
1.4
|
1
|
5
|
72.83
|
2
|
|
|
[(2R,4aS,8S,8aR)-5-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
|
438.60
|
2.3
|
2
|
7
|
102.29
|
7
|
|
|
methyl (1R,9R,13E)-1-amino-13-ethylidene-5-oxo-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-triene-11-carboxylate
|
286.33
|
-0.3
|
2
|
4
|
85.18
|
2
|
|
|
3-[3-(2,3-Dihydroxy-3-methylbutyl)-6-hydroxy-2,4-dimethoxyphenyl]propanoic acid
|
328.36
|
0.8
|
4
|
7
|
116.45
|
8
|
|
|
(1R,9S,10R,16S,17R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-ol
|
258.36
|
1.5
|
2
|
3
|
45.15
|
0
|
|
|
1-[(1S,3Z,3aS,7aS)-3-[2-(furan-3-yl)ethylidene]-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-2-benzofuran-1-yl]propan-1-one
|
316.40
|
5
|
0
|
3
|
39.44
|
4
|
|
|
(1S,4R,5R,6S,8R,9S,10S,13S,14R,15R,17R,19S)-10,17-dimethyl-9-(6-oxopyran-3-yl)-7,16,18,21-tetraoxaheptacyclo[15.3.1.115,19.01,14.04,13.05,10.06,8]docosane-14-carbaldehyde
|
454.50
|
2
|
0
|
7
|
87.5
|
2
|
|
|
(1R,9R,10S,16S,17S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-9,17-diol
|
274.36
|
0.4
|
3
|
4
|
65.38
|
0
|
|
|
[(1S,3S,6S)-1-methyl-4-[(3S)-6-methyl-3-[(Z)-2-methylbut-2-enoyl]oxyhepta-1,5-dien-2-yl]-2-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] (Z)-2-methylbut-2-enoate
|
430.50
|
5.3
|
0
|
6
|
82.2
|
10
|
|
|
(2E,4E)-5-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]penta-2,4-dienoic acid
|
530.50
|
1.4
|
7
|
12
|
203.44
|
10
|
|
|
[(2R,4aS,5R,6R,7R,8aS)-5-[2-(furan-3-yl)ethyl]-5,7-dihydroxy-1,1,4a,6-tetramethyl-8-oxo-2,3,4,6,7,8a-hexahydronaphthalen-2-yl] acetate
|
392.50
|
2.8
|
2
|
6
|
96.97
|
5
|
|
|
(E)-4-[(1S,3R,4aS,5S,8aR)-3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-methylbut-2-enal
|
306.40
|
2.7
|
2
|
3
|
57.53
|
4
|
|
|
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1R,2S,9S,12S,13R,16S)-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6,18-trien-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
883.00
|
1.3
|
10
|
17
|
270.82
|
12
|
|
|
5,7-Dimethoxy-2-oxochromene-6-carboxylic acid
|
250.20
|
1.4
|
1
|
6
|
85.97
|
3
|
|
|
1-[(1S,3R,3aS,7aS)-3-[2-(furan-3-yl)ethyl]-3-methoxy-3a,7,7-trimethyl-4,5,6,7a-tetrahydro-1H-2-benzofuran-1-yl]propan-1-one
|
348.50
|
4.6
|
0
|
4
|
48.67
|
6
|
|
|
(2R,3'R,4aS,6S,8aS)-6-ethenyl-3'-hydroxy-1',1',6,8a-tetramethylspiro[3,4,4a,5,7,8-hexahydronaphthalene-2,2'-cyclopentane]-1-one
|
304.50
|
4.8
|
1
|
2
|
37.3
|
1
|
|
|
(4aR,6aR,6bS,8aR,12aS,14R,14aR,14bS)-8a-hydroxy-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-4a,5,6,7,9,10,12,12a,14,14a-decahydropicene-3,8-dione
|
468.70
|
5.1
|
1
|
4
|
63.6
|
1
|
|
|
[(1S,3R,4R,5R,6R,7S,8R,9R,10R,12S,13S,17S)-3,6,12-triacetyloxy-4-formyl-17-(furan-3-yl)-1-hydroxy-4,8,10,13-tetramethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl] benzoate
|
690.80
|
4.6
|
1
|
11
|
155.64
|
11
|
|
|
3-[(1R,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-9-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9-tetramethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid
|
506.70
|
2
|
5
|
7
|
135.29
|
5
|
|
|
(1S,8E,18E,23R,24S,25S,26R)-4,14,15,24,25,26-hexahydroxy-2,21,27-trioxatetracyclo[21.3.1.13,7.012,17]octacosa-3,5,7(28),8,12,14,16,18-octaene-10,20-dione
|
500.40
|
0.8
|
6
|
11
|
183.21
|
0
|
|
|
2,5-Dimethylstyrene
|
132.20
|
3.4
|
0
|
0
|
0
|
1
|
|
|
[(1R,3S,3aS,5R,7aS)-1-methoxy-1-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-4,4,7a-trimethyl-3-propanoyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-5-yl] acetate
|
452.50
|
3.1
|
0
|
8
|
97.36
|
9
|
|
|
(E)-5-[(1S,4aR,5S,8aR)-5-(dimethoxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
|
350.50
|
5
|
1
|
3
|
38.69
|
7
|
|
|
(6aR,6aS,6bR,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,4a,6,6a,7,8,8a,10,11,12-dodecahydropicen-5-one
|
424.70
|
6.5
|
1
|
2
|
37.3
|
0
|
|
|
N-[(1S,2S,13S,15R)-2-hydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadec-10-en-11-yl]acetamide
|
320.40
|
0.3
|
2
|
3
|
72.39
|
1
|
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