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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (4R)-4-[(2R,4R)-4-hydroxy-6-methylheptan-2-yl]cyclohexene-1-carboxylate
|
268.39
|
4
|
1
|
3
|
46.53
|
7
|
|
|
(5S)-2-methyl-5-[(2S)-1-(4-methylfuran-2-yl)propan-2-yl]cyclohex-2-en-1-one
|
232.32
|
3.4
|
0
|
2
|
30.21
|
3
|
|
|
[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
524.50
|
0.1
|
6
|
12
|
184.6
|
8
|
|
|
[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
|
468.40
|
-0.3
|
6
|
11
|
175.37
|
6
|
|
|
6-O-Vanilloylajugol
|
498.50
|
-0.3
|
6
|
12
|
184.6
|
7
|
|
|
4,11-Bis(hydroxymethyl)-11-methyl-8-methylene-, [1
|
250.33
|
1.4
|
2
|
3
|
57.53
|
2
|
|
|
(1R,4S,4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalene-1,4-diol
|
238.37
|
2.3
|
2
|
2
|
40.46
|
1
|
|
|
(1aR,4S,4aS,7R,7aS,7bS)-4-(hydroxymethyl)-1,1,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
|
238.37
|
2.7
|
2
|
2
|
40.46
|
1
|
|
|
CID 14396746
|
480.60
|
2.1
|
5
|
8
|
136.68
|
4
|
|
|
Paniculoside I
|
480.60
|
2.1
|
5
|
8
|
136.68
|
4
|
|
|
(1S,2S,5S,8S,9R,11R,13S,16S,18R)-13,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
362.50
|
1.8
|
2
|
5
|
75.99
|
1
|
|
|
(1R,2S,5S,8S,9S,10S,11R,13S,16S,18R)-10,13,18-trihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
378.50
|
0.9
|
3
|
6
|
96.22
|
1
|
|
|
(1S,2S,5S,8S,9R,11R,13S,16S,18R)-16-ethoxy-13,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
376.50
|
2.2
|
2
|
5
|
75.99
|
2
|
|
|
(1R,2S,5S,8S,9S,10S,11R,13S,16S,18R)-10,13,16,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
0.3
|
4
|
6
|
107.22
|
0
|
|
|
(1R,2S,5S,8S,9S,10S,11R,13S,16R,18R)-10,13,16,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
0.3
|
4
|
6
|
107.22
|
0
|
|
|
NCGC00384904-01_C20H26O6_(3R,3'R,3a'R,5S,6a'S,8'R,10'R,10a'R)-5-(3-Furyl)-3',10'-dihydroxy-8'-methyldecahydro-8'H-spiro[furan-3,7'-naphtho[1,8a-c]furan]-2-one
|
362.40
|
1.9
|
2
|
6
|
89.13
|
1
|
|
|
3-Oxo-23-hydroxyurs-12-en-28-oic acid
|
470.70
|
6.4
|
2
|
4
|
74.6
|
2
|
|
|
methyl 2-[(1S,3S,7R,8R,9R,12S,13R)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
|
470.60
|
2.7
|
0
|
7
|
92.04
|
4
|
|
|
Eurycomanol
|
410.40
|
-3.1
|
6
|
9
|
156.91
|
0
|
|
|
2,5-Dimethyl-3-(methylthio)furan
|
142.22
|
2.3
|
0
|
2
|
38.44
|
1
|
|
|
5-Hydroxytryptophan
|
220.22
|
-1.2
|
4
|
4
|
99.34
|
3
|
|
|
7-Oxotetradecanoic acid
|
242.35
|
3.9
|
1
|
3
|
54.37
|
12
|
|
|
4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
|
312.27
|
1.6
|
0
|
6
|
74.97
|
1
|
|
|
9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine
|
154.25
|
0.9
|
1
|
2
|
29.26
|
0
|
|
|
[6-[[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
618.50
|
0.5
|
10
|
16
|
273.36
|
7
|
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