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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2S,5R,6S,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5-diol
|
254.36
|
1.3
|
2
|
3
|
49.69
|
0
|
|
|
(1S,2S,5R,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-2,5,8-triol
|
270.36
|
0.3
|
3
|
4
|
69.92
|
0
|
|
|
(1S,5R,6R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene-5,8-diol
|
236.35
|
1.9
|
2
|
2
|
40.46
|
0
|
|
|
(4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
|
234.33
|
1.6
|
1
|
2
|
37.3
|
1
|
|
|
(2S,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
|
238.37
|
2.5
|
2
|
2
|
40.46
|
1
|
|
|
(1R,4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-1,4,4a,6,7,8-hexahydronaphthalen-1-ol
|
236.35
|
1.6
|
2
|
2
|
40.46
|
1
|
|
|
Dide-O-methylgrandisin
|
404.50
|
3.7
|
2
|
7
|
86.61
|
6
|
|
|
[(3S,8R,9S,10R,12R,13S,14S,17S)-17-(1-acetyloxyethyl)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
|
945.10
|
4.9
|
3
|
16
|
196.36
|
15
|
|
|
[(3S,8S,9S,10R,12R,13S,14S,17S)-17-(1-acetyloxyethyl)-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
|
961.10
|
3.7
|
4
|
17
|
216.59
|
15
|
|
|
(9R)-6,8-dihydroxy-2,2,4,4-tetramethyl-5-(3-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione
|
442.50
|
5.8
|
2
|
6
|
100.9
|
5
|
|
|
(5aR,10bR)-8,10-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3-dione
|
456.50
|
5.1
|
2
|
7
|
110.13
|
4
|
|
|
2,2,4,4,7,7,9,9-Octamethyl-5abeta-isopropyl-1,2,3,4,5a,7,8,9,10,10bbeta-decahydrobenzofuro[2,3-b]benzofuran-1,3,8,10-tetraone
|
428.50
|
4.1
|
0
|
6
|
86.74
|
1
|
|
|
(9Z,12S,13E,15Z)-12-hydroxyoctadeca-9,13,15-trienoic acid
|
294.40
|
4.8
|
2
|
3
|
57.53
|
13
|
|
|
3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxypentanedioic acid
|
470.40
|
-1.1
|
6
|
12
|
200.28
|
11
|
|
|
(1R,5S,6S,7S)-6-(3,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]bicyclo[3.2.1]oct-3-ene-2,8-dione
|
454.50
|
3.9
|
4
|
6
|
115.06
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,4S,4aR,8aR)-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
0.7
|
5
|
7
|
119.61
|
4
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,4S,4aR,8aR)-4-hydroxy-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
0.8
|
5
|
7
|
119.61
|
4
|
|
|
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoate
|
628.60
|
-0.3
|
6
|
16
|
221.52
|
13
|
|
|
[(1R,4S,6R,7R,11Z)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
|
459.90
|
1.5
|
1
|
9
|
119.44
|
3
|
|
|
Quercetin 3-arabinoside
|
434.30
|
1
|
7
|
11
|
190.28
|
4
|
|
|
2-[(1S,4S,4aS,8R,8aR)-8,8a-dihydroxy-4,7-dimethyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-yl]prop-2-enoic acid
|
266.33
|
1.3
|
3
|
4
|
77.76
|
2
|
|
|
(2E,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-(hydroxymethyl)penta-2,4-dienoic acid
|
298.33
|
-0.4
|
4
|
6
|
107.22
|
4
|
|
|
2-(4-Hydroxyphenyl)propanoic acid
|
166.17
|
1.6
|
2
|
3
|
57.53
|
2
|
|
|
(E)-1-[(3S)-3-hydroxy-2,6,6-trimethylcyclohexen-1-yl]but-2-en-1-one
|
208.30
|
2
|
1
|
2
|
37.3
|
2
|
|
|
[(1R,2R,3S,8R,10R,11R,15S,16S)-3-acetyloxy-15-[(3S,5R)-5-hydroxy-6-oxooxan-3-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl] acetate
|
560.70
|
4.1
|
1
|
9
|
125.43
|
5
|
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