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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
7-hydroxy-2-methoxy-9H-carbazole-1,6-dicarbaldehyde
|
269.25
|
2.5
|
2
|
4
|
79.39
|
3
|
|
|
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-7-methoxy-9H-carbazole-3-carbaldehyde
|
377.50
|
6.8
|
2
|
3
|
62.32
|
7
|
|
|
2,7-dimethyl-2-(4-methylpent-3-enyl)-10H-pyrano[2,3-b]carbazol-8-ol
|
347.40
|
6.3
|
2
|
2
|
45.25
|
3
|
|
|
7-hydroxy-3-methyl-8-(3-methylbut-2-enyl)-9H-carbazole-1,4-dione
|
295.30
|
3.9
|
2
|
3
|
70.16
|
2
|
|
|
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,7-dihydroxy-3-methyl-9H-carbazol-2-yl]-3-methyl-9H-carbazole-1,7-diol
|
696.90
|
13.4
|
6
|
4
|
112.5
|
11
|
|
|
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-hydroxy-7-methoxy-3-methyl-9H-carbazol-2-yl]-7-methoxy-3-methyl-9H-carbazol-1-ol
|
725.00
|
14
|
4
|
4
|
90.5
|
13
|
|
|
(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
|
543.60
|
2
|
6
|
11
|
177.22
|
4
|
|
|
[(2R,3R,4S,5S)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
956.90
|
3.7
|
8
|
20
|
303.96
|
22
|
|
|
6,6-Dimethyl-2-methylidenecyclohex-3-ene-1-carbaldehyde
|
150.22
|
2.1
|
0
|
1
|
17.07
|
1
|
|
|
2-Hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one
|
166.22
|
1.6
|
1
|
2
|
37.3
|
0
|
|
|
3-(But-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-ol
|
194.31
|
2.8
|
1
|
1
|
20.23
|
2
|
|
|
4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde
|
182.22
|
0.8
|
1
|
3
|
54.37
|
1
|
|
|
4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
|
180.20
|
1.4
|
1
|
3
|
54.37
|
1
|
|
|
3-(But-1-enyl)-2,4,4-trimethylcyclohexan-1-ol
|
196.33
|
3.6
|
1
|
1
|
20.23
|
2
|
|
|
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
|
508.60
|
7.2
|
5
|
7
|
127.45
|
8
|
|
|
Allyl phenylacetate
|
176.21
|
2.4
|
0
|
2
|
26.3
|
5
|
|
|
Millettin
|
418.40
|
6.4
|
2
|
6
|
93.04
|
2
|
|
|
3-Methoxyphenylacetic acid
|
166.17
|
1.5
|
1
|
3
|
46.53
|
3
|
|
|
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-6-[(3S)-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]icos-18-ene-6,14,16-triol
|
610.80
|
2.1
|
7
|
10
|
169.3
|
7
|
|
|
Hexacosanyl caffeate
|
544.80
|
15.4
|
2
|
4
|
66.76
|
28
|
|
|
Triacontanyl caffeate
|
601.00
|
17.6
|
2
|
4
|
66.76
|
32
|
|
|
Glabrachromene I
|
380.40
|
4.6
|
1
|
6
|
74.22
|
4
|
|
|
2-(7-Methoxy-1,3-benzodioxol-5-yl)furo[2,3-h]chromen-4-one
|
336.30
|
3.4
|
0
|
6
|
71.04
|
2
|
|
|
Flemingsin
|
436.50
|
6.5
|
3
|
6
|
100.13
|
6
|
|
|
(2S,3R,4S,5S)-2-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxane-3,4,5-triol
|
560.70
|
2.5
|
4
|
8
|
117.84
|
2
|
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