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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5-[2-(3,4-Dihydroxyphenyl)ethyl]-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydrochromene-3,7-diol
|
398.50
|
5
|
4
|
5
|
90.15
|
5
|
|
|
[(1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-14-hydroxy-7,12,16-trimethyl-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-enyl]methyl acetate
|
486.70
|
5
|
1
|
5
|
53.01
|
6
|
|
|
N-[(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]benzamide
|
488.70
|
7.3
|
1
|
2
|
32.34
|
4
|
|
|
(1R,2S,4S,7R,8R,9S)-7-ethyl-7-hydroxy-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
358.40
|
1.1
|
2
|
5
|
71.03
|
2
|
|
|
(1R,2S,4S,7E,8S,9S)-7-ethylidene-8-hydroxy-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
|
370.40
|
0.6
|
1
|
5
|
62.24
|
1
|
|
|
4-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]butan-2-one
|
372.50
|
-0.2
|
4
|
7
|
116.45
|
6
|
|
|
(1R,3aS,4S,5R,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol
|
222.37
|
4.3
|
1
|
1
|
20.23
|
1
|
|
|
(2R,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
334.30
|
0.7
|
4
|
7
|
108.61
|
3
|
|
|
(1S,2S,7R,9R,11R,13R,14S,15R,16S,17R)-14,15,16-trihydroxy-4,11-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
|
396.50
|
0.8
|
3
|
7
|
105.45
|
2
|
|
|
[(2S,3aR,4S,4'S,5'R,5aR,6R,8aS,8bS)-6-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4-dihydroxy-5'-methyl-3,8-dioxospiro[5,5a,6,7,8a,8b-hexahydro-4H-thieno[3,2-g][1]benzofuran-2,2'-oxane]-4'-yl] 4-hydroxybenzoate
|
952.90
|
-5.3
|
12
|
25
|
396.25
|
11
|
|
|
[(3S,3aS,5aR,6S,8R,9aS,9bS)-8-hydroxy-3,5a-dimethyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-6-yl] acetate
|
308.40
|
1.6
|
1
|
5
|
72.83
|
2
|
|
|
CID 101607178
|
332.50
|
5
|
2
|
3
|
49.69
|
2
|
|
|
2-[(2R,4aS,6S,8aR)-6-hydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
|
250.33
|
2.6
|
2
|
3
|
57.53
|
2
|
|
|
Epicatechin-(4beta->8)-epicatechin-(4beta->8)-catechin 3''-gallate
|
1018.90
|
4.5
|
17
|
22
|
397.9
|
8
|
|
|
methyl (9R,12S,13Z,16S,17R)-13-ethylidene-18-oxo-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
|
350.40
|
1.7
|
1
|
5
|
58.64
|
2
|
|
|
(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
|
398.70
|
5.9
|
1
|
2
|
15.27
|
3
|
|
|
(3S,3aS,6R,6aS)-3,6-dimethyl-6-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
|
250.29
|
1.8
|
0
|
4
|
52.6
|
1
|
|
|
(3R,3aS,6R,6aS)-3,6-dimethyl-6-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
|
250.29
|
1.8
|
0
|
4
|
52.6
|
1
|
|
|
Tinophyllol
|
374.40
|
2.7
|
1
|
6
|
85.97
|
3
|
|
|
(2R,3R,4R,4aR,6aR,6bS,8aR,11S,12R,12aS,14aR,14bR)-2,3,11-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
518.70
|
4.2
|
5
|
7
|
135.29
|
2
|
|
|
(2R,3R,4R,4aR,6aR,6bS,8aR,12R,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4,8a-dicarboxylic acid
|
500.70
|
4.8
|
4
|
6
|
115.06
|
2
|
|
|
(1R,2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-2,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
680.80
|
2.4
|
8
|
12
|
214.44
|
5
|
|
|
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
668.60
|
-0.4
|
8
|
16
|
243.52
|
14
|
|
|
(16Z)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione
|
542.60
|
-0.4
|
5
|
12
|
181.44
|
3
|
|
|
(1S,5R,6R,13R,21S)-5-(3,4-dihydroxyphenyl)-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
|
560.50
|
2.7
|
8
|
11
|
189.53
|
2
|
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