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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[14-(2,5-Dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)tetradecyl]-4-hydroxy-5-methylcyclohexa-3,5-diene-1,2-dione
|
472.60
|
6.2
|
3
|
7
|
128.97
|
15
|
|
|
Methylmethionine, DL-
|
163.24
|
-1.7
|
1
|
3
|
66.15
|
3
|
|
|
Caffeoquinone
|
178.14
|
-0.1
|
1
|
4
|
71.44
|
2
|
|
|
2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-1-ol
|
428.70
|
10.2
|
1
|
1
|
20.23
|
2
|
|
|
(4aR,6aR,6bS,8aS,11S,12R,12aR,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
|
440.70
|
7.1
|
1
|
2
|
37.3
|
0
|
|
|
3',6-Dihydroxy-2,4,4'-trimethoxybenzophenone
|
304.29
|
3
|
2
|
6
|
85.22
|
5
|
|
|
4,7-Dihydroxy-2-(2-hydroxypropan-2-yl)-11-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
|
396.40
|
4.7
|
3
|
6
|
100.13
|
3
|
|
|
Quercetin-7-o-rutinoside
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
6
|
|
|
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
|
552.90
|
13.2
|
1
|
1
|
20.23
|
13
|
|
|
(6Z,8E,10Z,12E,14E,16E,18E,20E,22Z,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
(6Z,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
(6Z,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
|
536.90
|
15.6
|
0
|
0
|
0
|
16
|
|
|
(4R,7S)-7,14-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
|
308.40
|
3.2
|
2
|
5
|
75.99
|
1
|
|
|
(1S,5R,8R)-2-hydroxy-8-[(E)-3-hydroxy-4-methylhex-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
|
282.37
|
1.3
|
2
|
4
|
66.76
|
4
|
|
|
3-[[(2R,3S,4S,5R,6S)-6-[2-[3-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxyphenyl]-7-[(2S,3R,4S,5S,6R)-6-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
1507.30
|
-2.2
|
19
|
38
|
610.69
|
29
|
|
|
Methyl cis-ferulate
|
208.21
|
1.8
|
1
|
4
|
55.76
|
4
|
|
|
4-Hydroxy-beta-ionone
|
208.30
|
1.4
|
1
|
2
|
37.3
|
2
|
|
|
[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5R,6S)-5-acetyloxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate
|
1225.50
|
6.3
|
9
|
25
|
353.27
|
25
|
|
|
[(2S,3R,4R,5R,6S)-4-hydroxy-5-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-propanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate
|
1239.50
|
6.8
|
9
|
25
|
353.27
|
26
|
|
|
[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5R,6S)-5-butanoyloxy-4-hydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate
|
1253.50
|
7.2
|
9
|
25
|
353.27
|
27
|
|
|
(2R,3R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
|
540.60
|
3.1
|
5
|
9
|
138.07
|
12
|
|
|
(4R)-4-[(3R)-3-[(6-O-D-Apio-I(2)-D-furanosyl-I(2)-D-glucopyranosyl)oxy]butyl]-3,5,5-trimethyl-2-cyclohexen-1-one
|
504.60
|
-1.5
|
6
|
11
|
175.37
|
9
|
|
|
(E)-heptadec-15-en-12-ynoic acid
|
264.40
|
5.9
|
1
|
2
|
37.3
|
11
|
|
|
6-[(2S,4R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
430.40
|
1.7
|
5
|
9
|
149.82
|
3
|
|
|
(2S)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-methoxy-1-benzofuran-3-one
|
302.28
|
2
|
3
|
6
|
96.22
|
3
|
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