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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(5R)-2,6,9-humulatrien-5-ol-8-one
|
234.33
|
2.8
|
1
|
2
|
37.3
|
0
|
|
|
cyperusol B2
|
236.35
|
2.7
|
1
|
2
|
37.3
|
6
|
|
|
Iriflophenone
|
246.21
|
2.4
|
4
|
5
|
97.99
|
2
|
|
|
(2S,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
|
248.32
|
2.9
|
2
|
3
|
49.69
|
2
|
|
|
(4aR,8aS,9aR)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
|
248.32
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
cyperusol D
|
252.35
|
2.3
|
2
|
3
|
57.53
|
1
|
|
|
8-[(2R,3S)-3-heptyloxiran-2-yl]octa-4,6-diyn-3-ol
|
262.40
|
4.6
|
1
|
2
|
32.76
|
9
|
|
|
(3S,3aS,6R,6aR,9S,9aR,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
|
266.33
|
1.3
|
1
|
4
|
63.6
|
0
|
|
|
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E,3E,5E)-3-methyl-7-oxoocta-1,3,5-trienyl]cyclohex-2-en-1-one
|
288.40
|
2.4
|
1
|
3
|
54.37
|
4
|
|
|
Rhazinilam
|
294.40
|
2.9
|
1
|
1
|
34.03
|
1
|
|
|
(1S,2R)-1-(4-hydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]propane-1,3-diol
|
300.30
|
2.5
|
4
|
4
|
80.92
|
6
|
|
|
(4aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
|
312.40
|
5.7
|
0
|
2
|
26.3
|
2
|
|
|
1-(4-Hydroxy-3-methoxyphenyl)decan-3-yl acetate
|
322.40
|
5.5
|
1
|
4
|
55.76
|
12
|
|
|
3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
|
332.26
|
-1.7
|
7
|
10
|
177.14
|
4
|
|
|
(1S,4S,6S,10R,14E)-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
|
332.40
|
2.3
|
1
|
4
|
59.06
|
2
|
|
|
Phlogacanatholide B
|
332.40
|
1.9
|
2
|
4
|
66.76
|
1
|
|
|
Suregadolide C
|
348.40
|
1.4
|
3
|
5
|
86.99
|
0
|
|
|
Epiasarinin
|
354.40
|
2.7
|
0
|
6
|
55.38
|
2
|
|
|
1,2,4-trimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
|
379.40
|
4.2
|
0
|
6
|
49.39
|
3
|
|
|
Sacidumlignan B
|
386.40
|
3.9
|
2
|
6
|
77.38
|
5
|
|
|
5-[4-(3-Hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
|
390.50
|
4.9
|
2
|
6
|
77.38
|
9
|
|
|
4,4'-Diapo-zeta-carotene
|
404.70
|
11.7
|
0
|
0
|
0
|
12
|
|
|
Cowaxanthone B
|
424.50
|
6.6
|
2
|
6
|
89.13
|
6
|
|
|
(1S,2S,5S,14S,15R,18R,19S)-10-methoxy-5,15,19-trimethyl-6,21-dioxahexacyclo[17.3.3.01,18.02,15.05,14.07,12]pentacosa-7(12),8,10-trien-20-one
|
424.60
|
6.1
|
0
|
4
|
44.76
|
1
|
|
|
[(1S,8S,11S,13R,16S,17R,18S,19R)-17-acetyloxy-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-16-yl] acetate
|
446.50
|
2.5
|
1
|
8
|
112.27
|
4
|
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