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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Methylcyclopentadecanone
|
238.41
|
6.2
|
0
|
1
|
17.07
|
0
|
|
|
9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-
|
318.28
|
2.7
|
2
|
7
|
98.36
|
3
|
|
|
(1R,3S)-10-hydroxy-7,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione
|
318.32
|
2.5
|
1
|
6
|
82.06
|
2
|
|
|
Vitrofolal E
|
324.30
|
3.5
|
2
|
5
|
75.99
|
4
|
|
|
2,3,4-Trihydroxypentanedioic acid
|
180.11
|
-2.5
|
5
|
7
|
135.29
|
4
|
|
|
(Z)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxy-1-benzofuran-5-yl)prop-2-en-1-one
|
338.30
|
3.9
|
1
|
6
|
78.13
|
4
|
|
|
19E-geissoschizine
|
352.40
|
3
|
2
|
4
|
65.56
|
3
|
|
|
(1R,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-1-ol
|
355.40
|
2.4
|
1
|
6
|
60.39
|
2
|
|
|
5-Hydroxy-7,8,2',5'tetramethoxyflavone
|
358.30
|
3.3
|
1
|
7
|
87.36
|
5
|
|
|
(1S,2S,4S,6S,7R,8S)-6-ethyl-6-(hydroxymethyl)-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
|
358.40
|
1.1
|
2
|
5
|
71.03
|
3
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(E)-3-methylbut-1-enyl]chromen-4-one
|
368.40
|
4.4
|
3
|
6
|
100.13
|
4
|
|
|
Isocorynantheidine
|
368.50
|
3.4
|
1
|
4
|
54.56
|
5
|
|
|
Hydroxymatairesinol
|
374.40
|
2.1
|
3
|
7
|
105.45
|
6
|
|
|
Suranone
|
374.60
|
8.9
|
2
|
3
|
57.53
|
16
|
|
|
6-Methyl-1,3,5-triazine-2,4-diamine
|
125.13
|
-0.3
|
2
|
5
|
90.71
|
0
|
|
|
(S)-(3,4-dimethoxyphenyl)-[(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methanol
|
388.50
|
3.1
|
1
|
6
|
66.38
|
8
|
|
|
(2R,3R,4S,5S,6R)-2-[(1S,3S,4S,5R)-4-[(3R)-3-hydroxybutyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
392.50
|
0
|
6
|
8
|
139.84
|
7
|
|
|
(1S,2S,3R,4S)-3-[2-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]prop-2-enyl]-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
|
401.40
|
4.1
|
3
|
3
|
60.69
|
4
|
|
|
(3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol
|
404.50
|
3.9
|
2
|
6
|
77.38
|
12
|
|
|
(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
414.70
|
7.5
|
2
|
2
|
40.46
|
5
|
|
|
Apo-8'-lycopenal
|
416.60
|
10.4
|
0
|
1
|
17.07
|
12
|
|
|
[(E)-2-[(1S,5S,7S,8S,9S,12S)-2-formyl-5-methoxy-5,9-dimethyl-12-propan-2-yl-4-oxatricyclo[7.3.1.03,7]tridec-2-en-8-yl]ethenyl] 3-methylbut-2-enoate
|
430.60
|
5.6
|
0
|
5
|
61.83
|
7
|
|
|
Laxogenin
|
430.60
|
4.9
|
1
|
4
|
55.76
|
0
|
|
|
[(1R,2S,4R,6S,8S,9R,10S,11S,13S)-2-acetyloxy-6,8-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
434.50
|
2
|
2
|
7
|
110.13
|
4
|
|
|
(1R,2R,8R,10R,14S,17R,18R)-17-(furan-3-yl)-2,7,7,18-tetramethyl-6,9,16-trioxapentacyclo[11.7.0.02,8.08,10.014,18]icosa-3,12-diene-5,11,15-trione
|
438.50
|
2.5
|
0
|
7
|
95.34
|
1
|
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