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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Urolithin-3-sulfate
|
292.27
|
2.1
|
1
|
6
|
102.19
|
2
|
|
|
Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
684.70
|
-1.1
|
6
|
16
|
245.04
|
9
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
917.00
|
0
|
10
|
19
|
293.21
|
9
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
|
917.00
|
0
|
10
|
19
|
293.21
|
9
|
|
|
(1S,12S,14S)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
|
305.40
|
1.4
|
1
|
4
|
61.75
|
1
|
|
|
4,5-Seco-dopa
|
229.19
|
-2.9
|
4
|
7
|
137.92
|
6
|
|
|
1-[1-methyl-2-(2-oxopropyl)-3,6-dihydro-2H-pyridin-6-yl]but-3-en-2-one
|
221.29
|
1
|
0
|
3
|
37.38
|
5
|
|
|
1,3,7-Trihydroxy-2-methoxy-[1]benzofuro[2,3-b]chromen-11-one
|
314.25
|
3.2
|
3
|
7
|
113.27
|
1
|
|
|
9-Methoxyaristolactam I
|
323.30
|
3.1
|
1
|
5
|
66.02
|
2
|
|
|
2',3-Dihydroxy-3'-methoxy-4,5-methylenedioxybibenzyl
|
288.29
|
3.2
|
2
|
5
|
68.15
|
4
|
|
|
3,3'-Dihydroxy-4,5-methylenedioxybibenzyl
|
258.27
|
3.2
|
2
|
4
|
58.92
|
3
|
|
|
1,6-Dimethoxy-9H-carbazole-3-carboxaldehyde
|
255.27
|
2.8
|
1
|
3
|
51.32
|
3
|
|
|
methyl 6-methoxy-9H-carbazole-3-carboxylate
|
255.27
|
3.2
|
1
|
3
|
51.32
|
3
|
|
|
methyl 3-ethyl-1-formyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-2-carboxylate
|
350.40
|
1.8
|
1
|
4
|
81.16
|
4
|
|
|
2-(3-Hydroxy-3-methylbutyl)-1,3,5,6-tetrahydroxyxanthone
|
346.30
|
2.6
|
5
|
7
|
131.36
|
3
|
|
|
2alpha,3beta,19alpha-Trihydroxyoleana-12-ene-23,28-dioic acid
|
518.70
|
4.4
|
5
|
7
|
135.29
|
2
|
|
|
(1R,3R,4aS,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1,3-diol
|
256.38
|
1.8
|
3
|
3
|
60.69
|
1
|
|
|
(1R,3S,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,3-diol
|
254.36
|
1.1
|
3
|
3
|
60.69
|
1
|
|
|
(E)-3-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
|
518.50
|
0.4
|
5
|
11
|
164.37
|
9
|
|
|
(E)-3-[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
|
548.50
|
0.4
|
5
|
12
|
173.6
|
10
|
|
|
(2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-methoxyprop-1-enyl]-2,3-dihydro-1-benzofuran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
534.60
|
0.9
|
5
|
11
|
156.53
|
10
|
|
|
[(1R,2S,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate
|
366.40
|
2
|
2
|
6
|
93.06
|
5
|
|
|
[3-Hydroxy-3-(hydroxymethyl)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
|
322.40
|
0.6
|
2
|
6
|
93.06
|
3
|
|
|
2,3,6,7-Tetrahydro-4-methyl-2-[(1E)-3-methyl-1,3-butadien-1-yl]oxepin
|
178.27
|
3.1
|
0
|
1
|
9.23
|
2
|
|
|
Gravacridonol
|
323.30
|
3.4
|
2
|
5
|
71.69
|
2
|
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