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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(+)-Norushinsunine N-oxide
|
311.30
|
1.6
|
1
|
4
|
61.75
|
0
|
|
|
(12S,13S)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
|
311.30
|
1.6
|
1
|
4
|
61.75
|
0
|
|
|
(11R,12S,13R)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
|
311.30
|
1.6
|
1
|
4
|
61.75
|
0
|
|
|
Oliveridine
|
325.40
|
2.2
|
1
|
5
|
51.16
|
1
|
|
|
Isopiline
|
297.30
|
2.6
|
2
|
4
|
50.72
|
2
|
|
|
angustilobine B, (rac)-
|
338.40
|
1.2
|
1
|
4
|
54.56
|
2
|
|
|
(+)-Cultithalminine
|
608.70
|
5.4
|
2
|
9
|
102.21
|
3
|
|
|
(12S)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
|
311.30
|
2.4
|
2
|
5
|
59.95
|
1
|
|
|
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
329.50
|
4.4
|
1
|
2
|
29.1
|
2
|
|
|
(8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-17-[(1S)-1-(methylamino)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
|
343.50
|
3.4
|
2
|
3
|
49.33
|
3
|
|
|
2-Cyclohexylidenecyclohexanone
|
178.27
|
2.9
|
0
|
1
|
17.07
|
0
|
|
|
6-methoxy-2-methyl-1-[[4-[(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl)oxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-ol
|
652.80
|
6.4
|
1
|
9
|
82.09
|
9
|
|
|
7-methoxy-2-methyl-1-[[4-[(1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl)oxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
|
682.80
|
6.3
|
1
|
10
|
91.32
|
10
|
|
|
(1S)-1-[[4-[[(6aR)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
|
682.80
|
6.3
|
1
|
10
|
91.32
|
10
|
|
|
Cytochalasin H (>90%)
|
493.60
|
3.4
|
3
|
5
|
95.86
|
4
|
|
|
Octatetracontane
|
675.30
|
25.6
|
0
|
0
|
0
|
45
|
|
|
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7alpha-(hydroxymethyl)cyclopenta[c]pyran-4alpha-carboxylic acid methyl ester
|
390.40
|
-1.4
|
5
|
10
|
155.14
|
6
|
|
|
Adoxosidic acid
|
376.36
|
-1.8
|
6
|
10
|
166.14
|
5
|
|
|
methyl 5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
|
406.40
|
-2.6
|
6
|
11
|
175.37
|
5
|
|
|
Shanzhiside methyl ester
|
406.40
|
-2.6
|
6
|
11
|
175.37
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5R,6S,10S)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
378.33
|
-4.3
|
7
|
11
|
181.83
|
4
|
|
|
1(7)-Bicyclo(5.3.0)decane
|
136.23
|
2.9
|
0
|
0
|
0
|
0
|
|
|
Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-
|
220.35
|
4.2
|
0
|
1
|
17.07
|
0
|
|
|
Phenylethanol + Hex-Pen
|
416.40
|
-1.9
|
6
|
10
|
158.3
|
8
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol
|
416.40
|
-1.9
|
6
|
10
|
158.3
|
8
|
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