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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(2R,4aR,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
|
234.33
|
4.1
|
1
|
2
|
37.3
|
2
|
|
|
beta-Costol
|
220.35
|
4.2
|
1
|
1
|
20.23
|
2
|
|
|
Costol
|
220.35
|
4.2
|
1
|
1
|
20.23
|
2
|
|
|
(3As,6E,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
232.32
|
2.1
|
0
|
2
|
26.3
|
0
|
|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4R,7R,9R,10S,13R,15S)-15-hydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
|
466.60
|
2.3
|
5
|
7
|
119.61
|
3
|
|
|
Crotonosine
|
283.32
|
1.7
|
2
|
4
|
58.56
|
1
|
|
|
(4S)-11-hydroxy-10-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
|
283.32
|
1.7
|
2
|
4
|
58.56
|
1
|
|
|
Escholtzine
|
323.30
|
3
|
0
|
5
|
40.16
|
0
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
576.70
|
2.4
|
2
|
9
|
120.75
|
6
|
|
|
[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-14-hydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
|
738.90
|
0.8
|
5
|
14
|
199.9
|
9
|
|
|
2-[(2R,4aR,8aS)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
7-epi-alpha-Eudesmol
|
222.37
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
Dextropimarinal
|
286.50
|
5.5
|
0
|
1
|
17.07
|
2
|
|
|
(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
|
286.50
|
5.5
|
0
|
1
|
17.07
|
2
|
|
|
(3R,3AR,3BR,4S,7R,7AR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-OL
|
222.37
|
3.9
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4S,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
1
|
|
|
[(E,6R)-6-[(8S,9R,10S,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
|
556.70
|
3.2
|
3
|
8
|
138.2
|
6
|
|
|
(-)-alpha-Cuprenene
|
204.35
|
4.8
|
0
|
0
|
0
|
1
|
|
|
Stachene
|
272.50
|
7.5
|
0
|
0
|
0
|
0
|
|
|
64ZM73NK7J
|
246.30
|
2
|
1
|
3
|
50.44
|
0
|
|
|
gamma-Curcumene
|
204.35
|
4.7
|
0
|
0
|
0
|
4
|
|
|
Isopsoralidin
|
336.30
|
4.1
|
1
|
5
|
72.81
|
0
|
|
|
Uncarine B
|
368.40
|
1.6
|
1
|
5
|
67.87
|
2
|
|
|
(-)-Mitraphyllin
|
368.40
|
1.6
|
1
|
5
|
67.87
|
2
|
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