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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Syzalterin
|
298.29
|
3.4
|
3
|
5
|
90.9
|
1
|
|
|
(3S,4R,5R,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthrene-3,4-diol
|
426.70
|
6.5
|
2
|
2
|
40.46
|
5
|
|
|
(3S,4R,5R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,4-diol
|
428.70
|
7.1
|
2
|
2
|
40.46
|
5
|
|
|
1-Nonacosene
|
406.80
|
16
|
0
|
0
|
0
|
26
|
|
|
2-Acetyl-1,8-dihydroxy-6-methylanthracene-9,10-dione
|
296.27
|
2.8
|
2
|
5
|
91.67
|
1
|
|
|
10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
|
508.50
|
6.5
|
4
|
7
|
124.29
|
2
|
|
|
3-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-5-methoxy-phenol
|
286.32
|
3.8
|
1
|
4
|
47.92
|
5
|
|
|
(z)-3'-Hydroxy-3,4,5'-trimethoxystilbene
|
286.32
|
3.8
|
1
|
4
|
47.92
|
5
|
|
|
4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol
|
272.29
|
3.5
|
2
|
4
|
58.92
|
4
|
|
|
3,8,9-trihydroxy-6-methyl-3,4-dihydro-2H-anthracen-1-one
|
258.27
|
2.5
|
3
|
4
|
77.76
|
0
|
|
|
2-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
|
468.40
|
0.1
|
8
|
13
|
223.67
|
7
|
|
|
Vescalin
|
632.40
|
-0.5
|
12
|
18
|
321.66
|
1
|
|
|
Coniferaldehyde glucoside
|
340.32
|
-1.2
|
4
|
8
|
125.68
|
6
|
|
|
5,8,2'-Trihydroxy-7-methoxyflavone
|
300.26
|
2.6
|
3
|
6
|
100.13
|
2
|
|
|
2-[(2R,7S,8R,8aR)-7-acetyloxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
292.40
|
3.2
|
1
|
4
|
63.6
|
4
|
|
|
2-[(2R,5R,8S,8aR)-5-acetyloxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
292.40
|
3
|
1
|
4
|
63.6
|
4
|
|
|
2-[(2R,8R,8aR)-8,8a-dimethyl-7-oxo-1,2,3,5,6,8-hexahydronaphthalen-2-yl]prop-2-enoic acid
|
248.32
|
2.3
|
1
|
3
|
54.37
|
2
|
|
|
2-[(2R,5R,8R,8aR)-5-acetyloxy-8,8a-dimethyl-7-oxo-1,2,3,5,6,8-hexahydronaphthalen-2-yl]prop-2-enoic acid
|
306.40
|
1.8
|
1
|
5
|
80.67
|
4
|
|
|
2-[(2R,7S,8R,8aR)-7-acetyloxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
292.40
|
3.4
|
1
|
4
|
63.6
|
4
|
|
|
2-[(2R,8S,8aR)-8-(acetyloxymethyl)-8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
292.40
|
3.1
|
1
|
4
|
63.6
|
5
|
|
|
2-[(2R,8R,8aR)-8,8a-dimethyl-7-oxo-1,2,3,4,6,8-hexahydronaphthalen-2-yl]prop-2-enoic acid
|
248.32
|
2.6
|
1
|
3
|
54.37
|
2
|
|
|
2-[(2R,6S,8R,8aR)-6-acetyloxy-8,8a-dimethyl-7-oxo-1,2,3,4,6,8-hexahydronaphthalen-2-yl]prop-2-enoic acid
|
306.40
|
2.6
|
1
|
5
|
80.67
|
4
|
|
|
2-[(2R,4aR,8R,8aR)-6-acetyloxy-4a-hydroxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
322.40
|
1.5
|
2
|
6
|
100.9
|
4
|
|
|
2-[(2R,4aR,8R,8aR)-4a-hydroperoxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
280.32
|
1.6
|
2
|
5
|
83.83
|
3
|
|
|
2-[(2R,4aR,8R,8aR)-4a-hydroxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
264.32
|
1.5
|
2
|
4
|
74.6
|
2
|
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