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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S)-7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
|
314.29
|
2.5
|
1
|
6
|
74.22
|
2
|
|
|
(3S)-3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
|
354.40
|
3.5
|
3
|
6
|
96.22
|
1
|
|
|
(E,8R)-8-hydroxypentadec-9-en-11,13-diyn-2-one
|
232.32
|
2.5
|
1
|
2
|
37.3
|
8
|
|
|
2,2,4,4-tetramethyl-6-[(2R)-2-methylbutanoyl]cyclohexane-1,3,5-trione
|
266.33
|
3
|
0
|
4
|
68.28
|
3
|
|
|
(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6,7-tetrahydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
|
512.60
|
-1.4
|
8
|
9
|
178.91
|
6
|
|
|
(E,8R)-8-hydroxytetradec-9-en-11,13-diyn-2-one
|
218.29
|
2
|
1
|
2
|
37.3
|
8
|
|
|
(3S)-3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
340.40
|
3.9
|
3
|
5
|
86.99
|
3
|
|
|
(3R)-3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
340.40
|
3.9
|
3
|
5
|
86.99
|
3
|
|
|
(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoic acid
|
252.35
|
3.8
|
2
|
3
|
57.53
|
7
|
|
|
(3S)-3,6,8-trihydroxy-3-methyl-4H-isochromen-1-one
|
210.18
|
1.3
|
3
|
5
|
86.99
|
0
|
|
|
Caffeoxylupeol
|
588.90
|
11.8
|
2
|
4
|
66.76
|
5
|
|
|
(3S)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
356.40
|
4.1
|
4
|
6
|
107.22
|
3
|
|
|
[(2S,4R,4aR,5S,7R,8S,8aR)-8-[(2S,3aS,5R,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2-yl] (2R)-2-methylbutanoate
|
552.70
|
3.3
|
1
|
10
|
130.12
|
10
|
|
|
Pseudocarene
|
136.23
|
3
|
0
|
0
|
0
|
0
|
|
|
methyl (1S,4R,5S,9S,10R,12S)-16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylate
|
380.50
|
2.8
|
1
|
6
|
74.22
|
4
|
|
|
methyl (1S,4R,5S,9S,10R,12S)-16-(2-hydroxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylate
|
364.50
|
2.7
|
1
|
5
|
64.99
|
3
|
|
|
(3aR,4S,6aR,9aR,9bR)-Dodecahydro-3,6,9-tris(methylene)-2,8-dioxoazuleno[4,5-b]furan-4-yl 2-(hydroxymethyl)-2-propenoate
|
344.40
|
1
|
1
|
6
|
89.9
|
4
|
|
|
CID 12149911
|
282.33
|
0.8
|
3
|
5
|
86.99
|
1
|
|
|
(2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
|
470.70
|
5.4
|
2
|
4
|
74.6
|
6
|
|
|
methyl (2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
|
484.70
|
5.8
|
1
|
4
|
63.6
|
7
|
|
|
(2S,6R)-6-[(3R,5R,8S,10S,13S,14S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
|
470.70
|
5.4
|
2
|
4
|
74.6
|
6
|
|
|
(E,6R)-6-[(3S,5S,8S,9R,10S,13R,14S,17R)-3,9-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,8,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enal
|
458.70
|
7.2
|
2
|
3
|
57.53
|
5
|
|
|
4-Ethoxyphenol
|
138.16
|
1.8
|
1
|
2
|
29.46
|
2
|
|
|
Turraflorin A
|
538.60
|
3.9
|
0
|
8
|
109.11
|
9
|
|
|
(1r)-2-[(2r)-1-Methylpiperidin-2-yl]-1-phenylethanol
|
219.32
|
2.4
|
1
|
2
|
23.47
|
3
|
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