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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Uvarimacrophin A
|
651.00
|
12.2
|
2
|
7
|
102.29
|
30
|
|
|
(4R)-4-[(E,3R)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
|
240.29
|
-0.5
|
3
|
4
|
77.76
|
3
|
|
|
(1R,4S,4aS,8aS)-7-isopropyl-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1,4-diol
|
238.37
|
2.4
|
2
|
2
|
40.46
|
1
|
|
|
(3S)-5,7-dihydroxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one
|
312.27
|
1.6
|
2
|
6
|
85.22
|
0
|
|
|
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
|
434.40
|
-0.1
|
7
|
10
|
177.14
|
3
|
|
|
methyl (2R)-2-acetyloxy-2-[(1R,3R,7S,8S,9S,12R,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
|
528.60
|
2.8
|
0
|
9
|
118.34
|
6
|
|
|
(4R)-4-hydroxy-3,5,5-trimethyl-4-[(E,3R)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
|
386.40
|
-1
|
5
|
8
|
136.68
|
5
|
|
|
5-[(1S)-1-[(1R,4aR,6S,8aR)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
472.60
|
6
|
4
|
6
|
115.06
|
7
|
|
|
5-[(1S)-1-[(1R,4S,4aS,6S,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
490.60
|
5.3
|
5
|
7
|
135.29
|
7
|
|
|
5-[(1R)-1-[(1R,4S,4aS,6S,8aR)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
|
490.60
|
5.3
|
5
|
7
|
135.29
|
7
|
|
|
4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
|
388.40
|
2.3
|
2
|
7
|
86.61
|
5
|
|
|
(1R,4R,8S,10S,11R,14R)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylic acid
|
278.26
|
0.7
|
1
|
6
|
82.06
|
2
|
|
|
[(1S,4R,4aS,8S,8aS)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate
|
426.60
|
5.7
|
2
|
4
|
66.76
|
8
|
|
|
Nortetraphyllicine
|
294.40
|
2
|
2
|
3
|
35.5
|
0
|
|
|
(1S,5S,7R)-7-methyl-4,8,11-trioxatricyclo[5.3.1.01,5]undecan-3-one
|
184.19
|
0.1
|
0
|
4
|
44.76
|
0
|
|
|
Isoscabertopin
|
358.40
|
2.6
|
0
|
6
|
78.9
|
3
|
|
|
methyl (1R,4aR,7S,7aR)-5'-oxo-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1R)-1-[(E)-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
|
778.70
|
-1.3
|
8
|
19
|
286.89
|
13
|
|
|
(1S,10R,12R,13R,15R,16S,17R)-15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
|
322.40
|
1.9
|
0
|
3
|
44.65
|
1
|
|
|
[(2R,3S,4R,5R,6S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
|
490.40
|
1.3
|
6
|
12
|
196.35
|
6
|
|
|
(2S,3R)-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
|
332.30
|
1.3
|
2
|
6
|
77.38
|
4
|
|
|
CID 133561926
|
360.40
|
2
|
2
|
7
|
94.45
|
6
|
|
|
5-(6-hydroxy-1-benzofuran-2-yl)-2-[(1R,9R)-5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl]benzene-1,3-diol
|
442.50
|
4.8
|
4
|
6
|
103.29
|
2
|
|
|
(2R)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
|
452.50
|
5.9
|
2
|
6
|
85.22
|
8
|
|
|
[(2R,3S,4R,5R)-3-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,5S,6aS,6aR,6bS,8aS,10S,11R,12aS,14bR)-10-[(2S,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
1255.30
|
-4.1
|
18
|
29
|
473.51
|
15
|
|
|
Grossamide K
|
491.50
|
3.5
|
4
|
7
|
117.48
|
9
|
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