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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(4aS,5R,6R,8aS)-8a-(acetyloxymethyl)-5,6-dimethyl-5-(3-methylidenepent-4-enyl)-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
|
402.50
|
4.5
|
0
|
5
|
69.67
|
10
|
|
|
[(1R,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
|
504.60
|
5
|
1
|
8
|
108.36
|
11
|
|
|
[(1R,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
|
518.60
|
5.5
|
0
|
8
|
97.36
|
12
|
|
|
[(1R,3R,3aR,5R,6aS,7R,8R,10aS)-1-acetyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3-yl] acetate
|
420.50
|
5.3
|
1
|
6
|
82.06
|
8
|
|
|
[(1R,3R,3aR,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] acetate
|
462.60
|
5.8
|
0
|
7
|
88.13
|
10
|
|
|
5alpha-Hydroxycostic acid
|
250.33
|
2.5
|
2
|
3
|
57.53
|
2
|
|
|
2-[(2R,4aR,8aS)-8a-hydroxy-4a,8-dimethyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoic acid
|
250.33
|
2.3
|
2
|
3
|
57.53
|
2
|
|
|
(3R,4aR,8aR)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
|
238.37
|
2.3
|
2
|
2
|
40.46
|
1
|
|
|
(3R,4aS,8aR)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
|
238.37
|
2.3
|
2
|
2
|
40.46
|
1
|
|
|
methyl (1R,2R,4aS)-1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-2-carboxylate
|
252.31
|
1.4
|
1
|
4
|
63.6
|
2
|
|
|
1-[(3S,3aR,5R,7aS)-3-hydroxy-5-(2-hydroxypropan-2-yl)-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone
|
254.36
|
2
|
2
|
3
|
57.53
|
2
|
|
|
methyl (1S,11S,17R,18S)-18-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
|
340.40
|
1.9
|
2
|
5
|
61.8
|
3
|
|
|
Alstonamic acid
|
324.40
|
-1.4
|
2
|
4
|
65.56
|
1
|
|
|
Phenazocine
|
321.50
|
3.8
|
1
|
2
|
23.47
|
3
|
|
|
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic acid
|
296.23
|
-0.2
|
5
|
8
|
152.36
|
6
|
|
|
CID 14707061
|
452.60
|
6
|
0
|
5
|
69.67
|
2
|
|
|
(3aS,4aS,8aR,9aR)-3a-hydroxy-8a-methyl-3,5-dimethylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
|
248.32
|
2.3
|
1
|
3
|
46.53
|
0
|
|
|
Methyl-gamma-costate
|
248.36
|
4.5
|
0
|
2
|
26.3
|
3
|
|
|
[(4S,6E,8S,10R)-8-acetyloxy-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl] acetate
|
338.40
|
3.5
|
1
|
5
|
72.83
|
11
|
|
|
(9-Methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-b]furan-4-yl)methyl 2-methylbut-2-enoate
|
340.40
|
5
|
0
|
4
|
48.67
|
5
|
|
|
[(5S)-9-methoxy-4,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl]methyl acetate
|
302.40
|
4.1
|
0
|
4
|
48.67
|
4
|
|
|
(5S)-9-methoxy-3,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-carbaldehyde
|
258.31
|
3.8
|
0
|
3
|
39.44
|
2
|
|
|
[(5S)-4-formyl-9-methoxy-5-methyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl]methyl acetate
|
316.30
|
3.2
|
0
|
5
|
65.74
|
5
|
|
|
(5S,7S)-9-methoxy-3,5,7-trimethyl-6,7-dihydro-5H-benzo[f][1]benzofuran-8-one
|
258.31
|
3.7
|
0
|
3
|
39.44
|
1
|
|
|
(5S,7R)-9-methoxy-3,5-dimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-7-carbaldehyde
|
272.29
|
2.8
|
0
|
4
|
56.51
|
2
|
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