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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(1R,3R,4S)-4-ethenyl-3-(2-hydroxypropan-2-yl)-4-methylcyclohexyl]propan-2-ol
|
240.38
|
3.1
|
2
|
2
|
40.46
|
3
|
|
|
(1R,6S,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-1-ol
|
238.37
|
1.9
|
2
|
2
|
40.46
|
1
|
|
|
7-Hydroxyheptaphylline
|
295.30
|
4.6
|
3
|
3
|
73.32
|
3
|
|
|
[(3R,5S,8R,9S,10S,13S,14S,17R)-17-ethyl-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
|
360.50
|
5.5
|
0
|
3
|
43.37
|
3
|
|
|
(1S,3S)-5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
|
393.50
|
4.6
|
3
|
5
|
70.95
|
3
|
|
|
methyl (2S,4aS,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
|
706.70
|
0.9
|
1
|
16
|
209.63
|
14
|
|
|
methyl (2S,4aR,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
|
706.70
|
0.9
|
1
|
16
|
209.63
|
14
|
|
|
14alpha-hydroxyisocrebrine N-oxide
|
425.50
|
3.1
|
1
|
6
|
80.21
|
4
|
|
|
(1R,3R,4R,4aS,5'S)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
|
332.40
|
1
|
2
|
5
|
79.9
|
2
|
|
|
Spirost-25(27)-ene-1,3-diol, (1beta,3alpha,5alpha)-
|
430.60
|
4.9
|
2
|
4
|
58.92
|
0
|
|
|
Wedeliatrilolactone A
|
452.50
|
2.3
|
1
|
9
|
125.43
|
7
|
|
|
Murrayamine D
|
347.40
|
5.8
|
2
|
2
|
45.25
|
1
|
|
|
(14S,17R,19R)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol
|
347.40
|
4.8
|
1
|
2
|
34.39
|
0
|
|
|
Ergosta-5,24-dien-3beta-ol, acetate
|
440.70
|
9.3
|
0
|
2
|
26.3
|
6
|
|
|
2(5H)-Furanone, 4-(hydroxymethyl)-
|
114.10
|
-1.1
|
1
|
3
|
46.53
|
1
|
|
|
20(R)Ginsenoside Rg2
|
785.00
|
3.2
|
9
|
13
|
218.99
|
9
|
|
|
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
466.40
|
-0.3
|
8
|
12
|
206.6
|
4
|
|
|
Choerospondin
|
434.40
|
0.6
|
6
|
10
|
166.14
|
4
|
|
|
Myrtenyl methyl ether
|
166.26
|
2.1
|
0
|
1
|
9.23
|
2
|
|
|
(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
Carnosic acid gamma-lactone 12-methyl ether
|
328.40
|
5.5
|
0
|
3
|
35.53
|
2
|
|
|
5-Icosylbenzene-1,3-diol
|
390.60
|
11.8
|
2
|
2
|
40.46
|
19
|
|
|
3,7,11,15,19,23,27,31,35,39,43,47,51-Tridecamethyldopentaconta-2,6,10,14,18,22,26,30,34,38,42,46,50-tridecaen-1-ol
|
903.50
|
23.3
|
1
|
1
|
20.23
|
37
|
|
|
Benzoic acid, 2-(methylamino)-, (1aR,1bS,4S,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
|
539.60
|
2.7
|
4
|
9
|
142.39
|
7
|
|
|
Fuziline
|
453.60
|
-1
|
4
|
8
|
111.85
|
5
|
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