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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Oblongine
|
314.40
|
3.1
|
2
|
3
|
49.69
|
3
|
|
|
Decylcyclohexane
|
224.42
|
8.4
|
0
|
0
|
0
|
9
|
|
|
4-Ureido-butyric acid
|
146.14
|
-1.2
|
3
|
3
|
92.42
|
4
|
|
|
Pentanoic acid, 2-hydroxy-3-methyl-, (1S,3S,3aR,4R,5R,6R,7aS)-1-(acetyloxy)-5-(formyloxy)-3-(3-furanyl)-6-((5R,5aR,9aS)-5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano(3,4-b)oxepin-5-yl)octahydro-7a-hydroxy-3a-methyl-7-methylene-1H-inden-4-yl ester
|
672.70
|
2.9
|
2
|
13
|
185.1
|
11
|
|
|
Dodecylcyclohexane
|
252.50
|
9.5
|
0
|
0
|
0
|
11
|
|
|
Secologanin dimethyl acetal
|
434.40
|
-0.8
|
4
|
11
|
153.37
|
10
|
|
|
Mulberrofuran C
|
580.60
|
6
|
7
|
9
|
171.82
|
5
|
|
|
Isogentiakochianoside
|
568.50
|
-1.5
|
8
|
15
|
238.2
|
6
|
|
|
Cyanidin 3-(6''-acetylglucoside)
|
491.40
|
|
7
|
11
|
197.67
|
6
|
|
|
3,4-Dihydroxy-5-(2,3,4-trihydroxyphenoxy)benzoic acid
|
294.21
|
1.2
|
6
|
8
|
147.68
|
3
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-methoxy-5-prop-2-enyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
|
504.50
|
-1.4
|
8
|
13
|
207.99
|
9
|
|
|
2-[2-hydroxy-3-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-5-prop-2-enylphenyl]-6-[(1S,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol
|
538.80
|
10.9
|
2
|
2
|
40.46
|
9
|
|
|
(2S,3R)-2-(hydroxymethyl)-5-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-3-ol
|
298.30
|
3.1
|
3
|
4
|
69.92
|
4
|
|
|
(2S,3R)-2-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3-(hydroxymethyl)-7-(2-hydroxy-5-prop-2-enylphenyl)-2,3-dihydro-1-benzofuran-5-ol
|
522.60
|
6.5
|
5
|
6
|
110.38
|
8
|
|
|
1,4-Dimethoxy-2-(4-methoxy-3-prop-2-enylphenyl)benzene
|
284.30
|
4.5
|
0
|
3
|
27.69
|
6
|
|
|
Dunnianol
|
398.50
|
7.3
|
3
|
3
|
60.69
|
8
|
|
|
Isodunnianol
|
398.50
|
7.6
|
2
|
3
|
49.69
|
9
|
|
|
methyl (1S,4aS,5S,7aS)-7-(benzoyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
508.50
|
-1.2
|
5
|
12
|
181.44
|
9
|
|
|
methyl (1S,4aS,5R,7aS)-7-(benzoyloxymethyl)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
508.50
|
-1.2
|
5
|
12
|
181.44
|
9
|
|
|
methyl (1S,4aS,5R,7aS)-5-hydroxy-7-[(4-hydroxybenzoyl)oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
524.50
|
-1.6
|
6
|
13
|
201.67
|
9
|
|
|
methyl (1S,4aS,5R,7aS)-5-hydroxy-7-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
550.50
|
-1.1
|
6
|
13
|
201.67
|
10
|
|
|
8-Demethyleucalyptin
|
312.30
|
2.8
|
1
|
5
|
68.9
|
3
|
|
|
4-O-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl] 1-O-methyl butanedioate
|
400.50
|
6
|
0
|
4
|
52.6
|
8
|
|
|
7-Oxodehydroabietinol
|
300.40
|
4.6
|
1
|
2
|
37.3
|
2
|
|
|
1-[2-[2-(Dimethylamino)ethyl]-4,5-dimethoxyphenyl]-2-(3-hydroxy-4-methoxyphenyl)ethane-1,2-dione
|
387.40
|
2.8
|
1
|
7
|
85.3
|
9
|
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