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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4R,5S,6S,7S,11S)-5,7-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undec-1(10)-en-2-one
|
212.20
|
-0.8
|
2
|
5
|
75.99
|
0
|
|
|
Vulgarole
|
212.28
|
1.9
|
1
|
3
|
46.53
|
2
|
|
|
(E)-N-(2-methylpropyl)dec-2-en-4,6,8-triynamide
|
213.27
|
2.9
|
1
|
1
|
29.1
|
5
|
|
|
2-(1a-hydroxy-2H-oxireno[2,3-b]indol-6b-yl)acetic acid
|
207.18
|
-0.1
|
3
|
5
|
82.09
|
2
|
|
|
(7E,13E)-pentadeca-7,13-dien-9,11-diyn-4-one
|
214.30
|
3.5
|
0
|
1
|
17.07
|
6
|
|
|
(7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-one
|
214.30
|
4.1
|
0
|
1
|
17.07
|
6
|
|
|
[(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate
|
821.80
|
-0.4
|
2
|
20
|
272.98
|
13
|
|
|
[(4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
510.50
|
-1
|
7
|
12
|
195.6
|
7
|
|
|
(1S,2S)-1-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propane-1,2,3-triol
|
410.40
|
-0.4
|
6
|
9
|
149.07
|
10
|
|
|
(4Z,6E)-9-thiophen-2-ylnona-4,6-dien-8-yn-3-one
|
216.30
|
3.3
|
0
|
2
|
45.31
|
4
|
|
|
(2E,8E,10E)-tetradeca-2,8,10-trien-4,6-diyne-1,14-diol
|
216.27
|
2.1
|
2
|
2
|
40.46
|
6
|
|
|
(E)-pentadec-13-en-9,11-diyn-6-one
|
216.32
|
3.9
|
0
|
1
|
17.07
|
7
|
|
|
(E)-3-methylsulfanyl-N-[(E)-2-phenylethenyl]prop-2-enamide
|
219.30
|
2.3
|
1
|
2
|
54.4
|
4
|
|
|
Tanakamine
|
219.28
|
1.5
|
3
|
2
|
56.25
|
3
|
|
|
methyl (2E,8E)-9-methylsulfanyldeca-2,8-dien-4,6-diynoate
|
220.29
|
2.7
|
0
|
3
|
51.6
|
4
|
|
|
methyl (2E,4Z)-4-methylsulfanyldeca-2,4-dien-6,8-diynoate
|
220.29
|
2.7
|
0
|
3
|
51.6
|
5
|
|
|
[(2S,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (2E,4R,6E,10Z,14S)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate
|
1581.80
|
-0.4
|
20
|
34
|
541.66
|
41
|
|
|
6-[(3S,3aR,6S,6aR)-6-hydroxy-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxol-5-ol
|
266.25
|
0.5
|
2
|
6
|
77.38
|
1
|
|
|
1,3-benzodioxol-5-yl-[(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxolan-3-yl]methanone
|
694.60
|
-1.3
|
7
|
17
|
241.75
|
10
|
|
|
1-[(1S,4aS,5R,8aS)-5-hydroxy-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]ethanone
|
220.31
|
1.1
|
1
|
2
|
37.3
|
1
|
|
|
(R)-2,7(14),9-Bisabolatrien-11-ol
|
220.35
|
3.6
|
1
|
1
|
20.23
|
4
|
|
|
(4aR,9aR)-3,5,5,9a-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulen-9-one
|
220.35
|
3.4
|
0
|
1
|
17.07
|
0
|
|
|
(1S,5R,6R,7S,10S)-2,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-2-en-6-ol
|
220.35
|
3.4
|
1
|
1
|
20.23
|
0
|
|
|
6,7-Dimethoxy-2-methyl-3,4-dihydroisoquinolin-8-one
|
221.25
|
0.9
|
0
|
4
|
38.77
|
2
|
|
|
9-(Methylsulfonyl)nonylamine
|
221.36
|
1.7
|
1
|
3
|
68.54
|
9
|
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