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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
N-Nitrosodiethanolamine
|
134.13
|
-1.5
|
2
|
5
|
73.13
|
4
|
|
|
2,3,3-Tribromopropenoic acid
|
308.75
|
2.5
|
1
|
2
|
37.3
|
1
|
|
|
Hexyl octanoate
|
228.37
|
5.3
|
0
|
2
|
26.3
|
12
|
|
|
(10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
|
358.50
|
7
|
2
|
4
|
66.76
|
5
|
|
|
Oxidase, urate
|
567.40
|
|
8
|
15
|
309.67
|
8
|
|
|
Frangulatrioside A
|
740.70
|
-2
|
11
|
19
|
308.12
|
8
|
|
|
kaempferol-3-O-hexoxyl-hexoside
|
610.50
|
-1.4
|
10
|
16
|
269.43
|
7
|
|
|
(5R,5aR,8aR,9R)-4-methoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
606.60
|
0.6
|
4
|
14
|
181.06
|
8
|
|
|
3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol
|
154.25
|
2.1
|
1
|
1
|
20.23
|
0
|
|
|
3,7-Dihydroxy-5,3',4'-trimethoxyflavone
|
344.30
|
2
|
2
|
7
|
98.36
|
4
|
|
|
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
520.50
|
1.1
|
4
|
12
|
166.51
|
8
|
|
|
Myrcenyl acetate
|
196.29
|
3.6
|
0
|
2
|
26.3
|
7
|
|
|
Eriodictyol 7,3'-dimethyl ether
|
316.30
|
2.7
|
2
|
6
|
85.22
|
3
|
|
|
2-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one
|
328.30
|
2.7
|
1
|
6
|
78.13
|
4
|
|
|
Flaccidin
|
270.28
|
2.6
|
2
|
4
|
58.92
|
1
|
|
|
5,6,13-Trimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene
|
298.30
|
3.3
|
0
|
4
|
36.92
|
3
|
|
|
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
|
448.60
|
7.5
|
1
|
3
|
49.83
|
9
|
|
|
8,10-Nonacosanedione
|
436.80
|
12.3
|
0
|
2
|
34.14
|
26
|
|
|
5-(Z-heptadec-8-enyl) resorcinol
|
346.50
|
9.2
|
2
|
2
|
40.46
|
15
|
|
|
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol
|
344.50
|
8.5
|
2
|
2
|
40.46
|
14
|
|
|
5-[(8E,11E)-heptadeca-8,11-dienyl]benzene-1,3-diol
|
344.50
|
8.5
|
2
|
2
|
40.46
|
14
|
|
|
Bavachin
|
324.40
|
4.1
|
2
|
4
|
66.76
|
3
|
|
|
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
|
302.40
|
5
|
1
|
3
|
46.53
|
7
|
|
|
1-[2,4-Dihydroxy-6-(4-hydroxybutoxy)phenyl]ethanone
|
240.25
|
1.4
|
3
|
5
|
86.99
|
6
|
|
|
7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
|
578.50
|
-0.6
|
7
|
14
|
217.97
|
8
|
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