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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,5S,6aR,6aR,8aR,12aS,14aR,14bR)-4,4,6a,8a,11,11,14b-heptamethyl-2,3,4a,5,6,6a,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-5-ol
|
412.70
|
8.9
|
1
|
1
|
20.23
|
0
|
|
|
[(9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
|
536.60
|
5
|
1
|
9
|
101.91
|
7
|
|
|
(1R,2R,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol
|
486.50
|
4.5
|
6
|
7
|
130.61
|
5
|
|
|
(2aR,3R,5R,5aR,6aS,6bR,10aR,11R,12aS,12bS,12cS)-5a,10a,11-trihydroxy-3-(hydroxymethyl)-3',4',6b,12c-tetramethylspiro[2,2a,3,6,6a,10,11,12,12a,12b-decahydro-1H-benzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
|
500.60
|
1.3
|
4
|
8
|
141.36
|
1
|
|
|
methyl (1R,15R,18R)-16-[(1S,4S)-4-acetyl-1,3-dimethylcyclopent-2-en-1-yl]-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
|
472.60
|
3.5
|
1
|
4
|
62.4
|
5
|
|
|
Indirubin
|
262.26
|
2.7
|
2
|
3
|
65.45
|
1
|
|
|
Zymostenol
|
386.70
|
8
|
1
|
1
|
20.23
|
5
|
|
|
1,2-Dibutyrin
|
232.27
|
1
|
1
|
5
|
72.83
|
10
|
|
|
(2S,3R,4S,5S,6R)-2-[4-[[4-[hydroxy-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
684.70
|
-1.2
|
9
|
16
|
246.68
|
12
|
|
|
4-O-feruloyl-D-quinic acid
|
368.30
|
-0.1
|
5
|
9
|
153.75
|
6
|
|
|
[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-tetradecanoyloxycyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] tetradecanoate
|
989.60
|
24.5
|
0
|
4
|
52.6
|
38
|
|
|
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
602.90
|
12.1
|
1
|
4
|
55.76
|
6
|
|
|
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
602.90
|
12.1
|
1
|
4
|
55.76
|
6
|
|
|
N-[2-[(1R,2R)-3-Oxo-2-(2Z)-2-penten-1-ylcyclopentyl]acetyl]-L-tyrosine
|
373.40
|
2.6
|
3
|
5
|
103.7
|
9
|
|
|
(1S,3R,6R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
454.80
|
10.5
|
1
|
1
|
20.23
|
5
|
|
|
methyl (1R,4S,5R,9S,10R,12S,13R)-13-(hydroxymethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
|
334.50
|
5.2
|
1
|
3
|
46.53
|
3
|
|
|
(1R,4S,5R,9S,10R,12S,13S)-13-(hydroxymethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
|
320.50
|
4.8
|
2
|
3
|
57.53
|
2
|
|
|
(4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bR)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4.5
|
5
|
6
|
118.22
|
2
|
|
|
Kaempferol 3-gluco-xyloside
|
580.50
|
-0.8
|
9
|
15
|
249.2
|
7
|
|
|
[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-(4-acetyloxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate
|
872.80
|
2.8
|
1
|
21
|
271.46
|
20
|
|
|
cyclo[Gly-Ile-Tyr-Leu-Pro-Met-Pro-Gly-Met]
|
960.20
|
2.7
|
8
|
12
|
315.15
|
12
|
|
|
4-[Hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
374.40
|
2.1
|
3
|
7
|
105.45
|
6
|
|
|
(+/-)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
|
366.40
|
5.3
|
1
|
4
|
47.92
|
6
|
|
|
[4,5-Dimethoxy-2-(1-methyl-2,3-dihydroindol-7-yl)phenyl]methanol
|
299.40
|
2.8
|
1
|
4
|
41.93
|
4
|
|
|
CID 101774198
|
336.50
|
3.1
|
1
|
4
|
55.76
|
0
|
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