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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aR,5S,6R,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
|
332.40
|
4.9
|
1
|
4
|
63.6
|
4
|
|
|
[(2S,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)oxolan-3-yl]methanol
|
356.40
|
2.8
|
1
|
6
|
66.38
|
4
|
|
|
(E)-16-(1,3-benzodioxol-5-yl)hexadec-3-en-2-one
|
358.50
|
8
|
0
|
3
|
35.53
|
14
|
|
|
(3aR,8bS)-8b-[(3aR,8bS)-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
|
360.50
|
3.7
|
1
|
4
|
21.75
|
1
|
|
|
(1S,4S,5R,9S,10S,12S,13R)-12-acetyloxy-14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
|
374.50
|
3.7
|
1
|
5
|
80.67
|
4
|
|
|
(E)-18-(1,3-benzodioxol-5-yl)octadec-17-en-2-one
|
386.60
|
9
|
0
|
3
|
35.53
|
16
|
|
|
(1R,3S,4R,7R,8E,11S,12R)-4-hydroxy-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
|
386.60
|
5.3
|
1
|
3
|
54.37
|
5
|
|
|
methyl (1S,4aS,7R,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
|
388.40
|
-1.7
|
5
|
10
|
155.14
|
6
|
|
|
8,18-Dihydroxy-20-methoxy-6,16-dimethyl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2(11),4(9),5,7,13,15,17,19-nonaene-3,10-dione
|
388.40
|
5.4
|
2
|
6
|
96.97
|
1
|
|
|
7-O-Demethyl a-Narcotine
|
399.40
|
2.9
|
1
|
8
|
86.69
|
3
|
|
|
Isoiguesterin
|
404.60
|
6.3
|
1
|
2
|
37.3
|
0
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(Z)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
|
408.40
|
0.3
|
4
|
9
|
142.75
|
10
|
|
|
(10R,13aR)-2,3,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
409.50
|
4.2
|
0
|
5
|
59.98
|
4
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-[(1R,4R,6R,7S,10R)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.01,6]dodecan-4-yl]propan-2-yloxy]oxane-3,4,5-triol
|
416.50
|
-0.2
|
5
|
8
|
128.84
|
4
|
|
|
(1S,9R,11S,12S,20R,22S)-11,22-dimethyl-2,13-dioxa-10,21-diazatricyclo[18.2.2.29,12]hexacosane-3,14-dione
|
422.60
|
4.1
|
2
|
6
|
76.66
|
0
|
|
|
6-Hydroxyquinoline
|
145.16
|
1.8
|
1
|
2
|
33.12
|
0
|
|
|
(3S,6R,7R,8R,11R,12S,15S,16R,19S,21R)-8,19-dihydroxy-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-7-carboxylic acid
|
472.70
|
6.8
|
3
|
4
|
77.76
|
1
|
|
|
(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-acetyloxy-5-benzoyloxy-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
|
510.60
|
4.8
|
2
|
8
|
123.27
|
6
|
|
|
(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxy-4-methoxyphenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
520.70
|
8.4
|
2
|
6
|
85.22
|
10
|
|
|
[(1S,4R,5R,6S)-4,5-bis(1,3-benzodioxol-5-yl)-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
|
544.60
|
4.5
|
0
|
6
|
77.54
|
4
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3a,6a-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
552.50
|
-1.6
|
7
|
13
|
196.99
|
7
|
|
|
cis-Solamin
|
564.90
|
11.8
|
2
|
5
|
75.99
|
26
|
|
|
(17R,18R,21R,22S)-reticulation-1
|
592.90
|
12.9
|
2
|
5
|
75.99
|
28
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
594.50
|
-0.9
|
9
|
15
|
249.2
|
6
|
|
|
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
666.60
|
-0.7
|
8
|
17
|
264.5
|
10
|
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