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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
stereoisomer of 3-[2-Hydroxy-7-[tetrahydro-5-(1,4,5-trihydroxy-8-heneicosen-1-yl)-2-furanyl]heptyl]-5-methyl-2(5H)-furanone
|
622.90
|
9.1
|
4
|
7
|
116.45
|
27
|
|
|
Ergonine
|
547.60
|
1.9
|
3
|
6
|
118.21
|
4
|
|
|
Proglobeflowery acid
|
236.26
|
3
|
2
|
4
|
66.76
|
4
|
|
|
N-Desmethyldauricine
|
610.70
|
6.2
|
2
|
8
|
81.65
|
10
|
|
|
3-[(3,4-Dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-one
|
270.24
|
3
|
3
|
5
|
86.99
|
1
|
|
|
6,8-Dihydroxy-1,1-bis(3-methylbut-2-enyl)-3,4-dihydroxanthene-2,9-dione
|
382.40
|
4.9
|
2
|
5
|
87.74
|
4
|
|
|
Ccg-4986
|
374.80
|
4.9
|
0
|
7
|
126.46
|
4
|
|
|
4-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one
|
278.40
|
3.4
|
1
|
2
|
37.3
|
4
|
|
|
2-(1H-indol-3-yl)-2-oxoacetaldehyde
|
173.17
|
1.8
|
1
|
2
|
49.93
|
2
|
|
|
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
|
436.50
|
6.4
|
3
|
6
|
100.13
|
7
|
|
|
[(1R,2R,5S,6S,7S,8S,9S,10R,13S,14S)-2,7-dihydroxy-9,13-dimethyl-8-(2-methylpropanoyloxy)-5-propan-2-yl-6-tetracyclo[7.5.0.02,6.010,14]tetradecanyl]methyl benzoate
|
512.70
|
6.2
|
2
|
6
|
93.06
|
8
|
|
|
[(1R,2R,5S,6S,7S,8S,9S,10R,13S,14S)-2,8-dihydroxy-9,13-dimethyl-7-(2-methylpropanoyloxy)-5-propan-2-yl-6-tetracyclo[7.5.0.02,6.010,14]tetradecanyl]methyl benzoate
|
512.70
|
6.2
|
2
|
6
|
93.06
|
8
|
|
|
Tilarginine
|
188.23
|
-4.1
|
4
|
4
|
113.73
|
6
|
|
|
9-Oxo-10(E),12(Z)-octadecadienoic acid
|
294.40
|
5.2
|
1
|
3
|
54.37
|
14
|
|
|
3,5-Dihydroxy-6,7-dimethoxyflavone
|
314.29
|
3.2
|
2
|
6
|
89.13
|
3
|
|
|
(1R,2S,5S,9R,12S,13R,16S)-16-(dimethylamino)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-8-one
|
356.50
|
3.8
|
1
|
2
|
32.34
|
1
|
|
|
4-Methyl (4R,4aS,6aS,7R,11aS,11bS)-2,3,4,4a,5,6,6a,7,11,11a-decahydro-4,7-dimethylphenanthro[3,2-b]furan-4,11b(1H)-dicarboxylate
|
360.40
|
3.9
|
1
|
5
|
76.74
|
3
|
|
|
1,3,5,6-tetrahydroxy-2,4-bis[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one
|
532.70
|
9.6
|
4
|
6
|
111.13
|
10
|
|
|
1,3,5,6-tetrahydroxy-2-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one
|
396.40
|
5.8
|
4
|
6
|
111.13
|
5
|
|
|
Bullatalicin
|
638.90
|
8.2
|
4
|
8
|
125.68
|
25
|
|
|
1-Acetyl-4-methyl-1,3-cyclohexadiene
|
136.19
|
1.5
|
0
|
1
|
17.07
|
1
|
|
|
methyl (1R,9R,16S,18R,21S)-6-[(15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
|
616.80
|
6.2
|
1
|
5
|
49.74
|
4
|
|
|
(5S)-3-methoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
|
339.50
|
5.8
|
1
|
3
|
42.09
|
7
|
|
|
(5R)-2-(hydroxymethyl)-3-methoxy-5-(5-phenylpentyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
|
355.50
|
4.6
|
2
|
4
|
62.32
|
8
|
|
|
(5S)-3-methoxy-2-methyl-5-(5-phenylpentyl)-1,5,6,7-tetrahydroquinoline-4,8-dione
|
353.50
|
4.9
|
1
|
4
|
59.16
|
7
|
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