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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,2R,5S,6S,7R,8S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol
|
222.37
|
4.3
|
1
|
1
|
20.23
|
1
|
|
|
(1R,2R,4aS,4bR,7S,10aS)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-2-ol
|
304.50
|
4.6
|
2
|
2
|
40.46
|
2
|
|
|
(1aS,2aS,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-5-(4-methylpent-3-enyl)-2,2a,6,6a-tetrahydrooxireno[2,3-f][1]benzofuran-4-one
|
280.32
|
0.2
|
2
|
5
|
79.29
|
4
|
|
|
(1aS,2aS,6aR)-1a-(hydroxymethyl)-5-(4-methylpent-3-enyl)-2a,6a-dihydro-2H-oxireno[2,3-f][1]benzofuran-4,6-dione
|
278.30
|
1
|
1
|
5
|
76.13
|
4
|
|
|
3-[(1S,2S,6S)-2-[2-[(1R,5R,6R)-6-(2-carboxyethyl)-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]ethyl]-1-methyl-3-methylidene-6-prop-1-en-2-ylcyclohexyl]propanoic acid
|
470.70
|
7.3
|
2
|
4
|
74.6
|
11
|
|
|
[(13Z,14S,16S)-13-ethylidene-11-methyl-1-aza-11-azoniapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraen-18-yl]methanol
|
309.40
|
1.7
|
1
|
1
|
25.16
|
1
|
|
|
[(5R,6R,7S,8R,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate
|
454.60
|
4.6
|
1
|
5
|
76.74
|
3
|
|
|
[5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
|
540.60
|
0.8
|
5
|
12
|
181.44
|
11
|
|
|
methyl (E)-2-[(3S,6'S,7'S,8'aR)-6'-ethyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
|
400.50
|
2
|
2
|
6
|
88.1
|
5
|
|
|
(-)-Kopsanone
|
306.40
|
2.2
|
1
|
3
|
32.34
|
0
|
|
|
(2S,4S,7R,8S,9S,12R,13R,16R,18R)-16-hydroxy-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-en-6-one
|
454.70
|
7.2
|
1
|
3
|
46.53
|
3
|
|
|
Methyl 2,6-dimethoxyphenazine-1-carboxylate
|
298.29
|
2.4
|
0
|
6
|
70.54
|
4
|
|
|
Pinane
|
138.25
|
3.9
|
0
|
0
|
0
|
0
|
|
|
[(1R,2S,4S,8R,9R)-3,3,12-trimethyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-11-en-9-yl] acetate
|
276.40
|
3.1
|
0
|
3
|
35.53
|
2
|
|
|
[(1R,2S,4S,7S,8R,9R)-12-(hydroxymethyl)-3,3-dimethylspiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-9-yl] acetate
|
308.40
|
1
|
1
|
5
|
68.29
|
3
|
|
|
[(1R,2S,3R,4S,7S,8R,9R)-9-acetyloxy-3-(acetyloxymethyl)-3-(hydroxymethyl)spiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-12-yl]methyl acetate
|
424.40
|
-0.2
|
1
|
9
|
120.89
|
9
|
|
|
(8Z)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
|
542.60
|
-0.3
|
5
|
12
|
181.44
|
5
|
|
|
(3S,3'R,9R,9aR)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
|
321.40
|
2.7
|
0
|
5
|
55.84
|
1
|
|
|
[(1S,3R,13S,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,22,24-triacetyloxy-20-(acetyloxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-21-yl] 2-acetyloxy-2-methylpropanoate
|
849.80
|
0.4
|
2
|
20
|
272.98
|
14
|
|
|
(1R,2S,4S,8R)-3,3,12-trimethyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-11-en-9-one
|
232.32
|
2.7
|
0
|
2
|
26.3
|
0
|
|
|
(4aR,6aR,6aR,6bR,8aS,11S,12S,12aS,14aR,14bR)-11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
|
442.70
|
8
|
1
|
2
|
37.3
|
0
|
|
|
3beta-hydroxy-4,4,14alpha-trimethyl-5alpha-pregna-7,9(11)-diene-20S-carboxylic acid
|
386.60
|
5.4
|
2
|
3
|
57.53
|
2
|
|
|
(2S)-2-[(3S,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid
|
402.60
|
4.3
|
3
|
4
|
77.76
|
2
|
|
|
4,5,8-Trimethoxy-2-naphthaldehyd
|
246.26
|
2.5
|
0
|
4
|
44.76
|
4
|
|
|
(5-Hydroxy-10-methoxy-4-oxo-2-propylbenzo[h]chromen-8-yl) hydrogen sulfate
|
380.40
|
3.2
|
2
|
8
|
131.65
|
5
|
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