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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2E)-Piperamide-C5:1
|
273.33
|
2.7
|
0
|
3
|
38.77
|
4
|
|
|
Nepitrin
|
478.40
|
0.5
|
7
|
12
|
199.51
|
5
|
|
|
Isoiridomyrmecin
|
168.23
|
2.6
|
0
|
2
|
26.3
|
0
|
|
|
4-[(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
|
281.35
|
0.5
|
2
|
4
|
83.47
|
3
|
|
|
Tecostanine
|
183.29
|
1.8
|
1
|
2
|
23.47
|
1
|
|
|
3-[(6-Deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
|
712.80
|
-0.3
|
7
|
14
|
214.06
|
7
|
|
|
3-Epicabraleahydroxylactone
|
416.60
|
6.9
|
1
|
3
|
46.53
|
1
|
|
|
(2R,3R,4S)-2-(4-hydroxyphenyl)-5-[(2R,3S,4R)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-5-[(2R,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(2R,3R,4R)-2-(4-hydroxyphenyl)-5-[(2S,3R,4S)-3,7,8-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,4,7,8-tetrol
|
562.50
|
2
|
9
|
11
|
200.53
|
3
|
|
|
(1R,3S,7S,10R,15R,17S,18R,21S,22R,23S,25R,29R)-23-hydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
|
542.60
|
0.7
|
1
|
10
|
134.66
|
0
|
|
|
(1R,3S,7S,10R,15R,17S,18R,21R,22S,23S,25R,29S)-22,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
|
558.60
|
-0.4
|
2
|
11
|
154.89
|
0
|
|
|
(1R,3S,7S,10R,15R,17S,18R,21S,22R,23R,25R,29R)-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacos-12-ene-5,14,19,24-tetrone
|
526.60
|
1.6
|
0
|
9
|
114.43
|
0
|
|
|
Lancifodilactone C
|
544.60
|
0.8
|
1
|
10
|
134.66
|
0
|
|
|
Cycloart-23-en-3beta,25-diol
|
442.70
|
8
|
2
|
2
|
40.46
|
4
|
|
|
CID 12082288
|
350.40
|
2.5
|
1
|
4
|
58.64
|
3
|
|
|
10-Hydroxyscandine
|
366.40
|
2.1
|
2
|
5
|
78.87
|
3
|
|
|
Meloscandonine
|
320.40
|
1.9
|
1
|
3
|
49.41
|
0
|
|
|
(1S,10R,12S,13R,20S)-12-methyl-8,17-diazahexacyclo[11.6.1.110,13.01,10.02,7.017,20]henicosa-2,4,6,14-tetraene-9,11-dione
|
320.40
|
1.9
|
1
|
3
|
49.41
|
0
|
|
|
Dihydroxybergamottin
|
372.40
|
3.4
|
2
|
6
|
93.04
|
7
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
897.10
|
2.8
|
9
|
17
|
271.59
|
9
|
|
|
methyl (1R,4aS,5R,8aR)-5-[(2R)-2-acetyloxy-2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
388.50
|
4.5
|
0
|
5
|
65.74
|
7
|
|
|
7-Methoxy-beta-carboline-1-propionic acid
|
270.28
|
3
|
2
|
4
|
75.21
|
4
|
|
|
(4aR,7R,8S,8aR)-4,4a,7,8-tetramethyl-8-(3-oxobutyl)-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
276.40
|
3.4
|
0
|
2
|
34.14
|
3
|
|
|
CID 12082783
|
458.70
|
8.4
|
2
|
3
|
57.53
|
1
|
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