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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Drimiopsin C
|
288.25
|
2.8
|
3
|
6
|
100.13
|
1
|
|
|
(3S,4aS,6aS,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,10b-hexahydrobenzo[f]chromen-8-one
|
302.50
|
4.3
|
0
|
2
|
26.3
|
1
|
|
|
methyl (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
|
306.40
|
3.7
|
0
|
3
|
43.37
|
5
|
|
|
3,3',5-Trihydroxy-4',7-dimethoxyflavanone
|
332.30
|
2.1
|
3
|
7
|
105.45
|
3
|
|
|
(3S)-3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
|
334.30
|
3.4
|
2
|
5
|
75.99
|
0
|
|
|
4-[(2R,3R,4R,5R)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
|
342.40
|
3.9
|
1
|
5
|
57.15
|
3
|
|
|
tagitinin C
|
348.40
|
2.1
|
1
|
6
|
89.9
|
3
|
|
|
Lupulone B
|
398.50
|
5.9
|
1
|
4
|
63.6
|
6
|
|
|
(6As)-1,2,10,11,12-pentamethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline
|
399.50
|
3.7
|
0
|
6
|
49.39
|
5
|
|
|
Vibsanin R
|
400.50
|
5.3
|
1
|
4
|
59.06
|
7
|
|
|
Oxygenated xanthohumol
|
402.40
|
3.3
|
4
|
7
|
116.45
|
8
|
|
|
5alpha,6alpha-Epoxystigmastan-3beta-ol
|
430.70
|
8.8
|
1
|
2
|
32.76
|
6
|
|
|
5beta,6beta-Epoxystigmastan-3beta-ol
|
430.70
|
8.8
|
1
|
2
|
32.76
|
6
|
|
|
(8R,8'R,9'S)-5-methoxyclusin
|
432.50
|
3.5
|
1
|
8
|
84.84
|
8
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
440.70
|
9.2
|
0
|
2
|
26.3
|
7
|
|
|
7-Hydroxy-4-(7-hydroxy-6,8-dimethoxy-2-oxochromen-4-yl)-6,8-dimethoxychromen-2-one
|
442.40
|
1.8
|
2
|
10
|
137.8
|
5
|
|
|
(1S,4R,5R,6S)-N-(2-methylpropyl)-5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,6-dipentylcyclohex-2-ene-1-carboxamide
|
446.70
|
8.3
|
2
|
2
|
58.2
|
15
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
|
462.40
|
-2.6
|
8
|
13
|
215.83
|
7
|
|
|
(1S,4aR,5S,6R,6aR,7S,11aS,11bS)-1,5-diacetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylic acid
|
464.50
|
1.7
|
3
|
9
|
143.5
|
5
|
|
|
2-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-7-methoxychromen-4-one
|
506.50
|
1.1
|
5
|
12
|
177.51
|
7
|
|
|
3-Methyl-2-pentanol
|
102.17
|
1.7
|
1
|
1
|
20.23
|
2
|
|
|
(E)-5-[7-[6-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one
|
570.70
|
5.9
|
0
|
6
|
77.54
|
8
|
|
|
Uscharin
|
587.70
|
1.4
|
2
|
10
|
149.18
|
2
|
|
|
3-Methyl-2-pentanone
|
100.16
|
1.3
|
0
|
1
|
17.07
|
2
|
|
|
Methylhydroxycarbene
|
44.05
|
-0.1
|
1
|
1
|
20.23
|
0
|
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