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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2S,3aS)-3a,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-one
|
378.50
|
2.7
|
3
|
6
|
104.06
|
6
|
|
|
[(4aR,5S,8aR,9aS)-5,9a-dihydroxy-3,5,8a-trimethyl-2,8-dioxo-4a,9-dihydro-4H-benzo[f][1]benzofuran-7-yl] acetate
|
336.30
|
-0.2
|
2
|
7
|
110.13
|
2
|
|
|
4-[(1S)-1-[(2S)-5,7-dihydroxy-8-methyl-4-oxo-2-phenyl-2,3-dihydrochromen-6-yl]-3-methylbutyl]-5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
|
520.60
|
6.2
|
3
|
7
|
121.13
|
5
|
|
|
(7R,8R)-8-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
|
458.50
|
3.5
|
5
|
8
|
136.68
|
5
|
|
|
(5R,8R)-3-methyl-8-[(1R,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
|
464.60
|
6.9
|
0
|
4
|
52.6
|
1
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,4,6-trihydroxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
456.40
|
-0.7
|
9
|
13
|
226.83
|
6
|
|
|
[(1R,2R,4R,6R,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-2-(hydroxymethyl)-4-(2-hydroxy-3-methylbutanoyl)oxybut-2-enoate
|
494.50
|
0.7
|
3
|
10
|
152.12
|
9
|
|
|
(4aS,5S,8S,8aS)-5,8-dihydroxy-3,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
264.32
|
1
|
2
|
4
|
66.76
|
0
|
|
|
(1S,12S,13S,16S,18S)-18-methoxy-15-methyl-12-oxido-12-(2-phenylethyl)-5,7-dioxa-15-aza-12-azoniapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
|
448.50
|
2.9
|
0
|
5
|
71.06
|
4
|
|
|
(1S,13S,14R,21R)-14,21-dihydroxy-8,17-bis(2-phenylethyl)-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-6,19-dione
|
548.60
|
4
|
2
|
7
|
110.11
|
6
|
|
|
(1R,13R,14S,21S)-3,14,21-trihydroxy-8,17-bis[2-(4-methoxyphenyl)ethyl]-9,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,4,7,10,15(20),17-hexaene-6,19-dione
|
624.60
|
3.6
|
3
|
10
|
148.8
|
8
|
|
|
(6S,8R,8aS,9aR)-6,8,9a-trihydroxy-3,5,8a-trimethyl-6,7,8,9-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
280.32
|
-0.6
|
3
|
5
|
86.99
|
0
|
|
|
(6S)-6-[[4-[[(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
|
710.80
|
6.5
|
0
|
11
|
89.55
|
10
|
|
|
(1S,2S)-1-[[4-[[(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-5-ol
|
728.80
|
5.8
|
1
|
11
|
120.37
|
11
|
|
|
[(1E,5E,8Z)-4,4,8-trimethylcycloundeca-1,5,8-trien-1-yl]methanol
|
220.35
|
3.3
|
1
|
1
|
20.23
|
1
|
|
|
(5R)-5,9,17,17-tetramethyl-3,10-dioxa-8-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),8,13(18),19-hexaene
|
321.40
|
6
|
0
|
3
|
35.26
|
0
|
|
|
N-[1-[(4aR)-1,3,3,4a-tetramethyl-4,7-dioxo-2H-cyclopenta[c]pyridin-6-yl]-2-methylpropan-2-yl]acetamide
|
318.40
|
1.6
|
2
|
4
|
75.27
|
3
|
|
|
(2R)-6,7-dimethoxy-2-phenyl-2,3-dihydrochromene-4,5,8-trione
|
314.29
|
1.8
|
0
|
6
|
78.9
|
3
|
|
|
(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-8-[4-[[(1S,2R)-5,6,7-trimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
|
742.90
|
6.1
|
0
|
11
|
109.37
|
12
|
|
|
(15R)-11-hydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
|
432.50
|
5.5
|
1
|
6
|
78.13
|
2
|
|
|
(2S,3R,4S,5S,6R)-2-[[(4bS,7S,8aR)-4,7-dihydroxy-2-(1-hydroxypropan-2-yl)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
496.60
|
1.8
|
7
|
9
|
160.07
|
5
|
|
|
(2R,3R)-3,5,7-trihydroxy-8-methoxy-2-phenyl-2,3-dihydrochromen-4-one
|
302.28
|
2.2
|
3
|
6
|
96.22
|
2
|
|
|
(1S,2R,4aR,7R,8aS)-1-[2-acetyloxy-2-(furan-3-yl)ethyl]-2,7-dihydroxy-5-methoxycarbonyl-1,4a-dimethyl-8,8a-dihydro-7H-naphthalene-2-carboxylic acid
|
448.50
|
1.6
|
3
|
9
|
143.5
|
8
|
|
|
N-[(1'S,5'S,8R)-5'-methoxy-6-(3-methylbutyl)spiro[5,7-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-8,2'-cyclohex-3-ene]-1'-yl]-N-methylformamide
|
400.50
|
3.3
|
0
|
5
|
51.24
|
5
|
|
|
(1S,13S,14R,21R)-14,21-dihydroxy-7,17-bis(2-phenylethyl)-6,12,16-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),3,5(10),7,15(20),17-hexaene-9,19-dione
|
548.60
|
4
|
2
|
7
|
110.11
|
6
|
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