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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(4S,4aR,4bR,6S,7S,8aR,9S,10aS)-6,9-diacetyloxy-7-ethenyl-4,8a-dihydroxy-1,1,7-trimethyl-10-oxo-3,4,4b,5,6,8,9,10a-octahydro-2H-phenanthren-4a-yl]methyl acetate
|
494.60
|
2.1
|
2
|
9
|
136.43
|
8
|
|
|
[(1S,4S,5R,9S,10S,12R)-5,9-dimethyl-13-methylidene-6,15-dioxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl (E)-2-methylbut-2-enoate
|
398.50
|
3.8
|
0
|
4
|
60.44
|
4
|
|
|
N-[(1'S,5'S,8S)-5'-methoxy-6-methyl-7-oxospiro[5H-[1,3]dioxolo[4,5-g]isoquinoline-8,2'-cyclohex-3-ene]-1'-yl]-N-methylformamide
|
358.40
|
0.8
|
0
|
5
|
68.31
|
2
|
|
|
2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-8-(3-methylbut-2-enyl)chromen-4-one
|
438.50
|
5.1
|
5
|
7
|
131.36
|
6
|
|
|
(1R,2S,8R,12R,13S,15R,17S,18R,19S)-17-(furan-3-yl)-19-hydroxy-2,7,7,12,18-pentamethyl-6,11,14-trioxapentacyclo[10.8.0.02,8.013,15.013,18]icos-3-ene-5,10-dione
|
456.50
|
2.7
|
1
|
7
|
98.5
|
1
|
|
|
(1S,2S,6S,7S,9R,17R)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12,14-triene-3,11,16-trione
|
386.40
|
2.4
|
0
|
6
|
78.9
|
2
|
|
|
(1R,3R,11S,12S,13S,16R)-3,12-dihydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
|
342.30
|
-1.9
|
2
|
6
|
93.06
|
0
|
|
|
[(1S,12R,13S,14S)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (E)-3-phenylprop-2-enoate
|
546.60
|
3.7
|
1
|
9
|
109.75
|
6
|
|
|
2,3,6,8-tetrahydroxy-1-[(6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienyl]xanthen-9-one
|
482.60
|
6.5
|
5
|
7
|
131.36
|
9
|
|
|
3-Ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid
|
280.30
|
4.2
|
2
|
3
|
57.53
|
2
|
|
|
30-oxotriacontyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
629.00
|
15.3
|
1
|
5
|
72.83
|
34
|
|
|
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-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
|
781.00
|
3.6
|
8
|
13
|
215.83
|
7
|
|
|
(1S,11S,12S,13R)-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-2,4,7,9-tetraene-6,15-dione
|
294.30
|
1.5
|
0
|
3
|
43.37
|
0
|
|
|
(7aS)-7a-hydroxy-2-prop-2-enyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
|
196.20
|
-0.3
|
1
|
3
|
60.85
|
2
|
|
|
8-[(2,5-Dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenylchromen-4-one
|
376.40
|
4.2
|
4
|
6
|
111.13
|
3
|
|
|
[(1S,4S,5R,9S,10S,12R)-5,9-dimethyl-13-methylidene-6,15-dioxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl butanoate
|
386.50
|
3.4
|
0
|
4
|
60.44
|
5
|
|
|
[(1R,3E,5R,7S,9S,11R,12R,13S,14S)-11-acetyloxy-13-benzoyloxy-1-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
|
600.70
|
5.9
|
1
|
8
|
116.2
|
8
|
|
|
[(1S,3S,8E,10R,12S,16S)-5-(acetyloxymethyl)-16-hydroxy-10-methyl-6-oxo-7,13,15-trioxatetracyclo[8.4.1.11,12.04,8]hexadeca-4,8-dien-3-yl] (E)-2-methylbut-2-enoate
|
434.40
|
0.1
|
1
|
9
|
117.59
|
6
|
|
|
methyl (2R)-2-[(1R,2R,3R,4S,7R,8R,15S,17S,19S)-8-(furan-3-yl)-15,19-dihydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]-2-hydroxyacetate
|
500.50
|
1.1
|
3
|
9
|
135.66
|
4
|
|
|
7-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
434.50
|
5.3
|
2
|
6
|
89.13
|
4
|
|
|
4-[[7-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
|
504.60
|
4.7
|
1
|
7
|
63.63
|
7
|
|
|
[(1S,4S,5R,9S,10R,12S,13S)-13-hydroxy-13-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[10.2.2.01,10.04,9]hexadecanyl]methyl butanoate
|
406.60
|
3.2
|
2
|
5
|
83.83
|
6
|
|
|
(3S,11R)-3,21-dihydroxy-17,17-dimethyl-7-(3-methylbut-2-enoxy)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one
|
436.50
|
4.8
|
2
|
7
|
94.45
|
3
|
|
|
[(1S,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylbutanoate
|
490.60
|
5
|
1
|
7
|
91.29
|
10
|
|
|
(1S,14R)-10-(diethylaminomethyl)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8(34),9,11,18,20,22(33),24,26,31-dodecaen-9-ol
|
693.90
|
6.9
|
1
|
9
|
76.1
|
7
|
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