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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(2S,5R)-5-methyl-5-(9H-pyrido[3,4-b]indol-1-ylmethyl)oxolan-2-yl]propan-2-ol
|
324.40
|
3.2
|
2
|
3
|
58.14
|
3
|
|
|
3-(5-methoxy-2,2-dimethylchromen-6-yl)-2H-chromen-7-ol
|
336.40
|
4
|
1
|
4
|
47.92
|
2
|
|
|
(2S,4R,4aS,7aS,8R,10aS,11bR)-4-(hydroxymethyl)-4,7a,11b-trimethyl-2,3,4a,5,6,7,8,9,10a,11-decahydro-1H-naphtho[2,1-f][1]benzofuran-2,8-diol
|
336.50
|
1.5
|
3
|
4
|
69.92
|
1
|
|
|
Crotin
|
340.40
|
3.9
|
3
|
5
|
86.99
|
4
|
|
|
Enterolactone
|
298.30
|
3.3
|
2
|
4
|
66.76
|
4
|
|
|
[(3aR,4R,6R,6aR,9R,9aS,9bS)-6,9-dihydroxy-6,9-dimethyl-3-methylidene-2,8-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
|
366.40
|
0.9
|
2
|
7
|
110.13
|
3
|
|
|
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enoxymethyl)chromen-4-one
|
384.40
|
3.5
|
4
|
7
|
120.36
|
5
|
|
|
Peramine
|
247.30
|
-0.6
|
2
|
2
|
90.81
|
4
|
|
|
(2S)-3-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
|
622.90
|
9.2
|
3
|
7
|
105.45
|
25
|
|
|
(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
416.70
|
7.7
|
2
|
2
|
40.46
|
5
|
|
|
3-Methylbenzyl alcohol
|
122.16
|
1.6
|
1
|
1
|
20.23
|
1
|
|
|
[2-[11-(2,6-dihydroxy-4-methoxy-phenyl)-11-oxo-undecyl]-3-hydroxy-phenyl] Acetate
|
458.50
|
6.9
|
3
|
7
|
113.29
|
15
|
|
|
(3S,7S,8S,11R,16R,19R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol
|
458.70
|
6.9
|
3
|
3
|
60.69
|
1
|
|
|
(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dimethoxyphenyl]-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
|
466.60
|
6.8
|
1
|
6
|
74.22
|
9
|
|
|
3-Chlorobenzaldehyde
|
140.56
|
2.4
|
0
|
1
|
17.07
|
1
|
|
|
1-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,5-diol
|
478.50
|
7.1
|
4
|
6
|
99.38
|
3
|
|
|
6-o-(4-Methoxybenzoyl)ajugol
|
482.50
|
0
|
5
|
11
|
164.37
|
7
|
|
|
[(3S,6R,8R,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-22-oxo-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate
|
498.70
|
7.1
|
1
|
4
|
63.6
|
2
|
|
|
Isoorientin
|
448.40
|
-0.2
|
8
|
11
|
201.28
|
3
|
|
|
Unii-1IA46M0D13
|
564.50
|
0.6
|
9
|
12
|
217.6
|
2
|
|
|
Kahweol
|
314.40
|
3.4
|
2
|
3
|
53.6
|
1
|
|
|
Valerate
|
101.12
|
2
|
0
|
2
|
40.13
|
2
|
|
|
Latifolian A
|
533.40
|
|
6
|
11
|
161.51
|
0
|
|
|
(1S,9R,17S)-1-azoniahexacyclo[15.8.0.01,9.02,7.010,15.018,23]pentacosa-2,4,6,10,12,14,18,20,22-nonaene-4,5,12,13,20,21-hexol
|
420.40
|
2.9
|
6
|
6
|
121.38
|
0
|
|
|
(21S,22S)-22-methyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene-13,27-diol
|
548.60
|
4.6
|
2
|
7
|
103.57
|
0
|
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