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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Annphenone
|
344.31
|
-0.6
|
5
|
9
|
145.91
|
5
|
|
|
2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
|
302.40
|
5.7
|
1
|
3
|
42.6
|
9
|
|
|
2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran
|
330.50
|
6.8
|
1
|
3
|
42.6
|
11
|
|
|
[(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (Z)-2-methylbut-2-enoate
|
498.60
|
5.8
|
0
|
8
|
81.68
|
7
|
|
|
[(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] (E)-2-methylbut-2-enoate
|
498.60
|
5.8
|
0
|
8
|
81.68
|
7
|
|
|
HeteroclitinE
|
498.50
|
3
|
1
|
9
|
109.75
|
5
|
|
|
Androstan-6-one, 3,17-dihydroxy-, (3alpha,5alpha,17beta)-
|
306.40
|
2.6
|
2
|
3
|
57.53
|
0
|
|
|
Adenosine-3'-5'-diphosphate
|
427.20
|
-4.6
|
6
|
14
|
252.22
|
6
|
|
|
Abieta-8,11,13,15-tetraen-18-oic acid
|
298.40
|
5.9
|
1
|
2
|
37.3
|
2
|
|
|
(1R,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
|
498.50
|
0.4
|
5
|
8
|
144.71
|
4
|
|
|
(1S,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
|
498.50
|
0.4
|
5
|
8
|
144.71
|
4
|
|
|
(7S,8R)-5-hydroxy-7,8-dimethyl-10-(3-methylbut-2-enyl)-4-phenyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dione
|
404.50
|
5.7
|
1
|
5
|
76.74
|
3
|
|
|
5-Hydroxy-3-(hydroxymethyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
416.40
|
2.1
|
2
|
9
|
116.82
|
5
|
|
|
2-(3-Hydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
386.40
|
2.1
|
2
|
8
|
107.59
|
4
|
|
|
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3,4-dimethylpent-3-enoate
|
398.40
|
5.8
|
2
|
6
|
100.9
|
7
|
|
|
Dihydrodioscorine
|
223.31
|
1.8
|
0
|
3
|
29.54
|
0
|
|
|
16:0 Monomethyl PE
|
706.00
|
13
|
1
|
8
|
137.61
|
40
|
|
|
Oxophoebine
|
365.30
|
3.3
|
0
|
7
|
76.11
|
3
|
|
|
(1S,2R,5S,7R,8S)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
|
238.37
|
2.8
|
2
|
2
|
40.46
|
1
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxypropyl)-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
524.60
|
0.6
|
7
|
11
|
178.53
|
12
|
|
|
Thevetin
|
859.00
|
-1.6
|
9
|
18
|
272.98
|
10
|
|
|
3,4-Dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoic acid
|
470.30
|
1.4
|
7
|
13
|
228.33
|
3
|
|
|
6''-O-Malonylgenistin
|
518.40
|
0.6
|
6
|
13
|
213.42
|
8
|
|
|
Alismol
|
220.35
|
2.7
|
1
|
1
|
20.23
|
1
|
|
|
(1aS,4aR,7S,7aR,7bS)-7-methyl-4-methylidene-1a-propan-2-yl-3,4a,5,6,7a,7b-hexahydro-2H-azuleno[7,8-b]oxiren-7-ol
|
236.35
|
2.4
|
1
|
2
|
32.76
|
1
|
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