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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,6S,6aR,9aR,9bS)-6-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
278.30
|
-0.5
|
2
|
5
|
83.83
|
1
|
|
|
CID 14163580
|
404.50
|
1.7
|
1
|
7
|
98.5
|
4
|
|
|
Isoteuflifin
|
344.40
|
0.8
|
1
|
6
|
85.97
|
1
|
|
|
(3aS,4R,5S,8S,8aR)-3,8-dimethyl-5-[(2R)-6-methylhept-5-en-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol
|
306.50
|
4.3
|
2
|
2
|
40.46
|
4
|
|
|
[(1R,2R,4S,5S,6R,10R,11S,12R,15R,16R,18S,19R)-4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-2-methylbut-2-enoate
|
610.70
|
4.7
|
1
|
9
|
121.5
|
8
|
|
|
[(1S,4S,5R,8R,10S,13R,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl] acetate
|
498.70
|
8
|
0
|
4
|
52.6
|
2
|
|
|
2-Aminononadecane
|
283.50
|
8.6
|
1
|
1
|
26.02
|
16
|
|
|
(1S,2R,3R,7S,8S)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
|
189.21
|
-1.7
|
4
|
5
|
84.16
|
1
|
|
|
(3R,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
234.33
|
2.9
|
0
|
2
|
26.3
|
0
|
|
|
4',5,7-Trihydroxy-3-methoxyflavanone
|
302.28
|
2.4
|
3
|
6
|
96.22
|
2
|
|
|
(3aR,4aR,5R,6R,8aR,9aR)-6-hydroxy-8a-methyl-3-methylidenespiro[3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-5,2'-oxirane]-2-one
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
[(1R,2S,4aR,5R,8aS)-5-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate
|
368.50
|
5.3
|
1
|
3
|
46.53
|
5
|
|
|
Isonardosinone
|
250.33
|
2.3
|
1
|
3
|
49.83
|
1
|
|
|
(1S,2R,3R,9S,12S)-12-hydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one
|
250.33
|
2.3
|
1
|
3
|
46.53
|
0
|
|
|
(1aS,4R,6R,6aR,7S,7aS)-4-hydroxy-7-(2-hydroxypropan-2-yl)-6,6a-dimethyl-1a,4,5,6,7,7a-hexahydronaphtho[2,3-b]oxiren-2-one
|
266.33
|
1
|
2
|
4
|
70.06
|
1
|
|
|
(1aS,6R,6aR,7S,7aS)-7-(2-hydroxypropan-2-yl)-6,6a-dimethyl-5,6,7,7a-tetrahydro-1aH-naphtho[2,3-b]oxirene-2,4-dione
|
264.32
|
0.9
|
1
|
4
|
66.9
|
1
|
|
|
16-Acetoxy-7-O-Acetylhorminone
|
432.50
|
3.1
|
1
|
7
|
106.97
|
6
|
|
|
DELTA6-Dehydroferruginol
|
284.40
|
6.5
|
1
|
1
|
20.23
|
1
|
|
|
[(1S,4R,5aS,9aS,9bR)-1-acetyloxy-6,6,9a-trimethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-4-yl] acetate
|
336.40
|
3.5
|
0
|
5
|
61.83
|
4
|
|
|
Hysterin
|
308.40
|
2
|
1
|
5
|
72.83
|
3
|
|
|
[(3aS,6S,6aR,9S,9aS,9bR)-6a,9-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9,9b-octahydroazuleno[4,5-b]furan-9a-yl]methyl acetate
|
324.40
|
1
|
2
|
6
|
93.06
|
3
|
|
|
7-Hydroxycostol
|
236.35
|
3.1
|
2
|
2
|
40.46
|
2
|
|
|
N-N-BIS(beta-CHLOROETHYL)-p-TOLUENESULFONAMIDE
|
234.33
|
3
|
1
|
2
|
37.3
|
2
|
|
|
7-Hydroxycostal
|
234.33
|
3
|
1
|
2
|
37.3
|
2
|
|
|
1-(7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl)ethanone
|
204.31
|
2.2
|
0
|
1
|
17.07
|
1
|
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