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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-Cinnamoylmelianolone
|
638.70
|
0.6
|
4
|
11
|
164.51
|
7
|
|
|
(2S,4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1'-one
|
299.40
|
1.9
|
1
|
4
|
47.56
|
2
|
|
|
(4aR,5S,8aR)-3,4a,5-trimethyl-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-9-one
|
232.32
|
4.1
|
0
|
2
|
30.21
|
0
|
|
|
Harmalidine
|
254.33
|
2.6
|
0
|
2
|
26.52
|
1
|
|
|
(4aS,10aS)-5,6-dihydroxy-7-[(2R)-1-hydroxypropan-2-yl]-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
332.40
|
4
|
3
|
4
|
77.76
|
2
|
|
|
3-Isopropyl-2-methylphenol
|
150.22
|
3.1
|
1
|
1
|
20.23
|
1
|
|
|
Epiisorosmanol
|
346.40
|
3.4
|
3
|
5
|
86.99
|
1
|
|
|
Isorosmanol
|
346.40
|
3.4
|
3
|
5
|
86.99
|
1
|
|
|
Methyl 3'-methylspiro[8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-12,2'-oxirane]-10-carboxylate
|
338.40
|
1.9
|
1
|
5
|
54.1
|
2
|
|
|
2-Methyl-1-phenyl-2-propen-1-ol
|
148.20
|
2.5
|
1
|
1
|
20.23
|
2
|
|
|
Anhydroaegeline
|
279.30
|
3.6
|
1
|
2
|
38.33
|
5
|
|
|
(3S,3aS,7R,10E,11aS)-7-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
(3R,3aS,7R,10E,11aS)-7-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
|
250.33
|
1.9
|
1
|
3
|
46.53
|
0
|
|
|
(3S,3aS,10E,11aS)-3,10-dimethyl-6-methylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,7-dione
|
248.32
|
2.3
|
0
|
3
|
43.37
|
0
|
|
|
(4E,8R,9R)-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
|
232.32
|
3.5
|
0
|
2
|
26.3
|
1
|
|
|
3,4-Hexanedione, 2,2,5,5-tetramethyl-
|
170.25
|
2.4
|
0
|
2
|
34.14
|
3
|
|
|
2-Methylbutyl isothiocyanate
|
129.23
|
3.3
|
0
|
2
|
44.45
|
3
|
|
|
2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-
|
184.23
|
0.7
|
0
|
3
|
43.37
|
3
|
|
|
3,6-Bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
|
374.40
|
1.2
|
3
|
7
|
97.61
|
4
|
|
|
Sanggenon-C
|
708.70
|
6.3
|
8
|
12
|
214.44
|
6
|
|
|
6,10-Dimethylundecanal
|
198.34
|
4.8
|
0
|
1
|
17.07
|
9
|
|
|
[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoate
|
625.10
|
16.2
|
0
|
2
|
26.3
|
20
|
|
|
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] tetradecanoate
|
625.10
|
16.2
|
0
|
2
|
26.3
|
20
|
|
|
Stigmast-5-en-3-ol, octadecanoate, (3beta)-
|
681.20
|
18.3
|
0
|
2
|
26.3
|
24
|
|
|
Stigmast-5-en-3beta-yl eicosanoate
|
709.20
|
19.4
|
0
|
2
|
26.3
|
26
|
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