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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Isoivaxillin
|
266.33
|
1.8
|
0
|
4
|
51.36
|
0
|
|
|
[(3S,3aS,6S,6aS,7S,10aR)-7-[(3S)-3-acetyloxy-4-hydroxy-4-methylpentyl]-3-hydroxy-7-methyl-4-methylidene-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-6-yl] acetate
|
438.60
|
2.7
|
2
|
7
|
102.29
|
8
|
|
|
[(3R,3aS,6S,6aS,7S,10aR)-3-acetyloxy-7-[(3S)-3-acetyloxy-4-hydroxy-4-methylpentyl]-7-methyl-4-methylidene-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-6-yl] acetate
|
480.60
|
3.3
|
1
|
8
|
108.36
|
10
|
|
|
Methoxybrassitin
|
250.32
|
2.5
|
1
|
3
|
68.56
|
4
|
|
|
(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-2-carbaldehyde
|
220.31
|
3.4
|
0
|
2
|
34.14
|
1
|
|
|
Oleanolic acid 3-[glucosyl-(1->4)-xyloside]
|
751.00
|
4.4
|
7
|
12
|
195.6
|
6
|
|
|
CID 13993928
|
336.40
|
2.8
|
1
|
3
|
45.33
|
3
|
|
|
Erycristin
|
406.50
|
6.5
|
1
|
4
|
47.92
|
5
|
|
|
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(2-hydroxyethyl)but-2-enal
|
304.50
|
4.6
|
1
|
2
|
37.3
|
5
|
|
|
15,16-Dinor-8(17),11-labdadien-13-one
|
260.40
|
5
|
0
|
1
|
17.07
|
2
|
|
|
Benzyl-2,3,5,6-tetramethoxybenzoate
|
332.30
|
3.2
|
0
|
6
|
63.22
|
8
|
|
|
[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate
|
418.40
|
0.1
|
2
|
8
|
119.36
|
7
|
|
|
[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
|
360.40
|
0.8
|
2
|
6
|
93.06
|
4
|
|
|
[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
376.40
|
-0.4
|
3
|
7
|
113.29
|
5
|
|
|
(5S,6aS,7R,8R,10aS)-5-hydroxy-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
|
346.40
|
2.5
|
1
|
5
|
72.83
|
3
|
|
|
(5S,6aS,7R,8R,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
|
508.60
|
0.9
|
4
|
10
|
151.98
|
6
|
|
|
13-Methyl-3,5,8-trioxa-13-azapentacyclo[10.8.0.02,6.07,11.014,19]icosa-1,6,9,11,14,16,18-heptaen-20-one
|
293.27
|
3.3
|
0
|
5
|
53.6
|
0
|
|
|
6-(2-Methylbut-3-en-2-yl)-[1,3]dioxolo[4,5-h]chromen-8-one
|
258.27
|
3.2
|
0
|
4
|
48.67
|
2
|
|
|
3-[4-[[(1R)-6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde
|
652.70
|
5.7
|
0
|
9
|
96
|
11
|
|
|
Maroumin
|
638.70
|
5.4
|
1
|
9
|
107
|
10
|
|
|
11-Methoxy-henningsamine
|
424.50
|
1.3
|
0
|
6
|
68.31
|
3
|
|
|
11-Methoxydiaboline
|
382.50
|
0.7
|
1
|
5
|
62.24
|
1
|
|
|
2alpha-Hydroxy-dihydroparthenolide
|
266.33
|
1.3
|
1
|
4
|
59.06
|
0
|
|
|
(1S,4S,5R,9S,10R,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
|
336.50
|
3.4
|
3
|
4
|
77.76
|
2
|
|
|
(1aS,3aR,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde
|
232.32
|
2.4
|
0
|
2
|
34.14
|
2
|
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