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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3,3''-Dihydroxyterphenyllin
|
370.40
|
3.3
|
5
|
7
|
119.61
|
4
|
|
|
(1E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione
|
370.40
|
3
|
2
|
6
|
93.06
|
9
|
|
|
1,2-Diacetoxylycorine
|
371.40
|
1.1
|
0
|
7
|
74.3
|
4
|
|
|
Calycopterin
|
374.30
|
3.1
|
2
|
8
|
107.59
|
5
|
|
|
8-butanoyl-5,7-dihydroxy-4-[(1S)-1-hydroxypropyl]-6-(3-methylbut-2-enyl)chromen-2-one
|
374.40
|
3.8
|
3
|
6
|
107.97
|
7
|
|
|
[(1S,13R,14R,15S,16S)-15-hydroxy-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,11-tetraen-13-yl] acetate
|
375.40
|
0.1
|
1
|
7
|
77.46
|
5
|
|
|
2-Methoxy-8-(7-methoxy-2-oxochromen-8-yl)-6-methylnaphthalene-1,4-dione
|
376.40
|
3.6
|
0
|
6
|
82.81
|
3
|
|
|
Isovaleric acid
|
102.13
|
1.2
|
1
|
2
|
37.3
|
2
|
|
|
Thalicpureine
|
385.50
|
4.1
|
1
|
6
|
58.18
|
8
|
|
|
6-Methylheptanal
|
128.21
|
2.6
|
0
|
1
|
17.07
|
5
|
|
|
8-Hydroxy-7-methyl-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylic acid
|
412.40
|
4.1
|
2
|
8
|
103.68
|
5
|
|
|
Bisnorstriatol
|
414.60
|
9.2
|
4
|
4
|
80.92
|
15
|
|
|
Vibsanin C
|
416.50
|
4.8
|
1
|
5
|
80.67
|
10
|
|
|
Panepophenanthrin
|
420.50
|
-1.4
|
4
|
8
|
132.28
|
2
|
|
|
Murrastifoline F
|
420.50
|
7.1
|
1
|
2
|
39.18
|
3
|
|
|
Picraquassioside B
|
428.40
|
-0.1
|
5
|
11
|
168.28
|
8
|
|
|
3-Methoxyminimiflorin
|
436.50
|
5.6
|
2
|
6
|
85.22
|
4
|
|
|
Isomallotochromene
|
442.50
|
4.2
|
4
|
8
|
133.52
|
5
|
|
|
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl)-2,3-dihydrochromen-4-one
|
442.50
|
4.5
|
5
|
7
|
127.45
|
7
|
|
|
Leucosceptrine
|
448.50
|
2.1
|
3
|
7
|
113.29
|
5
|
|
|
Epipachysamine D
|
450.70
|
7.6
|
1
|
2
|
32.34
|
4
|
|
|
3-Epikatonic acid
|
456.70
|
7.5
|
2
|
3
|
57.53
|
1
|
|
|
Larreantin
|
460.50
|
4.8
|
2
|
7
|
102.29
|
6
|
|
|
(6S)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one
|
461.50
|
-0.5
|
4
|
10
|
138.15
|
3
|
|
|
3,5,6-trihydroxy-2-(4-hydroxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
4
|
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