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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-
|
384.50
|
3
|
2
|
5
|
74.79
|
4
|
|
|
11H-Benzofuro(3,2-b)(1)benzopyran-11-one, 2-(5,6-dihydro-9-hydroxy-2-methyl-2,6-methano-2H-1-benzoxocin-4-yl)-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-butenyl)-
|
570.60
|
5.2
|
5
|
9
|
145.91
|
3
|
|
|
Cylindol B
|
318.28
|
3.5
|
2
|
7
|
102.29
|
6
|
|
|
5-hydroxy-7-[(1S,2R)-1-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl]oxy-3,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
|
632.60
|
5.5
|
2
|
12
|
156.26
|
11
|
|
|
Leptosin I
|
740.90
|
2.3
|
4
|
13
|
256.19
|
2
|
|
|
1-(3,4-Dimethoxyphenyl)propan-1-one
|
194.23
|
2.2
|
0
|
3
|
35.53
|
4
|
|
|
1-(4-Hydroxy-3-methoxyphenyl)propan-1-one
|
180.20
|
1
|
1
|
3
|
46.53
|
3
|
|
|
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
478.40
|
0.5
|
7
|
12
|
199.51
|
5
|
|
|
(1S,2S,4R,7R,11S)-7-hydroxy-4-methyl-8,12-dimethylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradecan-13-one
|
264.32
|
1.3
|
1
|
4
|
59.06
|
0
|
|
|
9a-(3,8a-Dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-9a-yl)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
|
462.60
|
5.1
|
0
|
4
|
52.6
|
1
|
|
|
[(1R,2R,5R,6R,8S,9S)-1,5,9-trimethyl-10-oxatricyclo[6.2.2.02,6]dodecan-9-yl]methyl acetate
|
280.40
|
3.3
|
0
|
3
|
35.53
|
3
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] 2-methylpropanoate
|
686.80
|
3.9
|
0
|
12
|
153.87
|
14
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-[(E)-2-methylbut-2-enoyl]oxy-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-2-methylbut-2-enoate
|
738.90
|
5.3
|
0
|
12
|
153.87
|
15
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5-acetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-11-(2-methylpropanoyloxy)-2-oxatricyclo[6.3.1.04,12]dodecan-7-yl] (E)-2-methylbut-2-enoate
|
726.80
|
5.1
|
0
|
12
|
153.87
|
15
|
|
|
23-O-acetyl-7,8-didehydroshengmanol-3-O-alpha-l-arabinopyranoside
|
660.80
|
3.4
|
4
|
10
|
155.28
|
8
|
|
|
2-[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-22-yl]propan-2-yl acetate
|
692.90
|
4.2
|
5
|
11
|
164.37
|
6
|
|
|
Ajugarin IV
|
406.50
|
4.1
|
0
|
6
|
78.9
|
7
|
|
|
[(1R,19S,21R,22R,23S)-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl] 3,4,5-trihydroxybenzoate
|
938.70
|
2.4
|
15
|
26
|
444.18
|
9
|
|
|
(1S,7R,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
|
202.33
|
4.3
|
0
|
0
|
0
|
0
|
|
|
(1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-19-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one
|
903.10
|
0
|
10
|
18
|
283.98
|
11
|
|
|
2-Oxidopropanoate
|
88.06
|
1.3
|
0
|
3
|
63.19
|
0
|
|
|
(e)-1-(2,4,5-Trimethoxyphenyl)buta-1,3-diene
|
220.26
|
3.4
|
0
|
3
|
27.69
|
5
|
|
|
(e)-4-(3,4-Dimethoxyphenyl)but-3-en-1-yl acetate
|
250.29
|
2.7
|
0
|
4
|
44.76
|
7
|
|
|
Octadecylamine
|
269.50
|
8.5
|
1
|
1
|
26.02
|
16
|
|
|
Triphasiol
|
348.40
|
1.9
|
2
|
6
|
96.97
|
7
|
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