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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Peroxymurraol
|
276.28
|
2.3
|
1
|
5
|
68.9
|
4
|
|
|
[4-(7-Methoxy-2-oxochromen-8-yl)-2-methyl-3-oxobutan-2-yl] 3-methylbutanoate
|
360.40
|
3.3
|
0
|
6
|
82.81
|
8
|
|
|
Shisonin B
|
757.70
|
|
11
|
17
|
297.05
|
11
|
|
|
Fisetinidol-(4A8)-catechin
|
562.50
|
2.7
|
9
|
11
|
200.53
|
3
|
|
|
4'-o-Methylepicatechin
|
304.29
|
0.7
|
4
|
6
|
99.38
|
2
|
|
|
3'-O-Methylcatechin
|
304.29
|
0.7
|
4
|
6
|
99.38
|
2
|
|
|
2-Butan-2-yl-9-ethenyl-9-methyl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
|
250.29
|
2.7
|
0
|
4
|
52.6
|
3
|
|
|
Kuwanon X
|
582.60
|
5.8
|
8
|
9
|
178.91
|
6
|
|
|
(2,4-Dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone
|
582.60
|
5.8
|
8
|
9
|
178.91
|
6
|
|
|
[(1R,2R,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
|
580.60
|
6
|
7
|
9
|
171.82
|
5
|
|
|
[(1R,2S,6S)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
|
648.70
|
7.9
|
7
|
9
|
171.82
|
7
|
|
|
1-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
|
630.70
|
7.9
|
5
|
8
|
132.75
|
4
|
|
|
Kuwanol A
|
564.60
|
5.8
|
6
|
8
|
139.84
|
3
|
|
|
4-Methyl-2-heptanol
|
130.23
|
2.7
|
1
|
1
|
20.23
|
4
|
|
|
3,7,14-Trihydroxy-18,18-dimethyl-11-(3-methylbut-2-enyl)-2,10,17-trioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),4(9),5,7,14,16(21),19-heptaen-12-one
|
436.50
|
4.6
|
3
|
7
|
105.45
|
2
|
|
|
4-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
|
708.70
|
6.3
|
8
|
12
|
214.44
|
6
|
|
|
Ermanin 7-glucoside
|
476.40
|
1.4
|
5
|
11
|
168.28
|
6
|
|
|
5-Hydroxy-2-(4-methoxyphenyl)-3,7-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
|
624.50
|
-0.8
|
9
|
16
|
258.43
|
8
|
|
|
Kaempferol 3,7,4'-O-triglucoside
|
772.70
|
-2.9
|
13
|
21
|
348.58
|
10
|
|
|
5-Hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
|
564.50
|
-0.5
|
8
|
14
|
228.97
|
5
|
|
|
[6-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
|
690.60
|
-2.4
|
10
|
19
|
321.18
|
9
|
|
|
5-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
|
608.50
|
-0.3
|
8
|
15
|
238.2
|
7
|
|
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
580.50
|
-1.4
|
9
|
15
|
249.2
|
6
|
|
|
5-Hydroxy-2-(4-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
|
608.50
|
-0.3
|
8
|
15
|
238.2
|
7
|
|
|
CID 14334937
|
444.40
|
0.8
|
4
|
10
|
148.05
|
4
|
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