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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-[(1S,2S,13R,15S)-7-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid
|
630.80
|
7.9
|
3
|
8
|
130.36
|
10
|
|
|
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,6R,8S,9S,12R,13S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1035.20
|
-0.4
|
12
|
22
|
335.06
|
11
|
|
|
3,3-Dimethyloctane
|
142.28
|
5.2
|
0
|
0
|
0
|
5
|
|
|
(Cyclobut-2-en-1-yl)methanol
|
84.12
|
0.5
|
1
|
1
|
20.23
|
1
|
|
|
Kauran-16,17-diol
|
306.50
|
4.9
|
2
|
2
|
40.46
|
1
|
|
|
Glutinosin
|
306.50
|
4.2
|
2
|
2
|
40.46
|
2
|
|
|
(3aS,5S,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
248.32
|
1
|
1
|
3
|
46.53
|
0
|
|
|
l-Cysteine, S-butyl-
|
177.27
|
-1.5
|
2
|
4
|
88.62
|
6
|
|
|
[(3aR,5aR,8R,8aR,9aR)-8-methyl-1,5-dimethylidene-2-oxo-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,7-b]furan-8-yl] acetate
|
290.40
|
2.4
|
0
|
4
|
52.6
|
2
|
|
|
Guaianolide ziniolide
|
230.30
|
2.4
|
0
|
2
|
26.3
|
0
|
|
|
(1R,3R,5S,8E,11R)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
248.32
|
2.3
|
0
|
3
|
38.83
|
0
|
|
|
(1R,3S,5R,8E,11S)-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
248.32
|
2.3
|
0
|
3
|
38.83
|
0
|
|
|
11(13)-Dehydroivaxillin
|
264.32
|
1.7
|
0
|
4
|
51.36
|
0
|
|
|
8-Hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
(3aR,5aR,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
8-Epiinuviscolide
|
248.32
|
1.8
|
1
|
3
|
46.53
|
0
|
|
|
Cyclopentene, 1-heptyl-
|
166.30
|
5
|
0
|
0
|
0
|
6
|
|
|
Isobicyclogermacral
|
218.33
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
19-(Furan-3-yl)-12,21-dihydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,11,17-trione
|
502.50
|
0.1
|
2
|
10
|
145.03
|
1
|
|
|
9a-hydroxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,7-dione
|
262.30
|
0.5
|
1
|
4
|
63.6
|
0
|
|
|
methyl (4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
470.70
|
7.8
|
1
|
3
|
46.53
|
2
|
|
|
Methyloleanolate
|
470.70
|
7.8
|
1
|
3
|
46.53
|
2
|
|
|
methyl (4aS,6aR,6aS,6bR,8aS,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
|
470.70
|
7.8
|
1
|
3
|
46.53
|
2
|
|
|
methyl 2-[(2R,4aS)-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoate
|
262.34
|
2.8
|
0
|
3
|
43.37
|
3
|
|
|
(1S,3R,5S)-3-hydroperoxy-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
|
168.23
|
1.8
|
1
|
2
|
29.46
|
1
|
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