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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4Ar,5S,8aR)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
|
218.33
|
3.4
|
0
|
1
|
17.07
|
1
|
|
|
guidongnin B
|
346.40
|
3.1
|
0
|
5
|
69.67
|
0
|
|
|
guidongnin C
|
362.40
|
1.8
|
1
|
6
|
89.9
|
0
|
|
|
guidongnin A
|
362.40
|
0.7
|
2
|
6
|
93.06
|
0
|
|
|
Caudoside
|
548.70
|
1.6
|
3
|
9
|
131.75
|
4
|
|
|
Quinovic acid
|
486.70
|
5.9
|
3
|
5
|
94.83
|
2
|
|
|
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-12,14-dihydroxy-11-oxo-, (3beta,5beta,12beta)-
|
564.70
|
0.1
|
4
|
10
|
151.98
|
4
|
|
|
Odoroside F
|
696.80
|
1
|
6
|
13
|
193.83
|
7
|
|
|
Neoline
|
437.60
|
-0.1
|
3
|
7
|
91.62
|
5
|
|
|
3beta,11-Dihydroxy-12-methoxyabieta-8,11,13-triene-7-one
|
346.50
|
4.1
|
2
|
4
|
66.76
|
2
|
|
|
(4R,4aS,6aS,6aS,6bR,7S,8aR,12aR,14aS,14bS)-7-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
458.70
|
7.8
|
2
|
3
|
57.53
|
1
|
|
|
(4R,4aS,6R,6aS,6aS,6bS,8aR,12aR,14aS,14bS)-6-hydroxy-6b-(hydroxymethyl)-4,4a,6a,8a,11,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
458.70
|
7.1
|
2
|
3
|
57.53
|
1
|
|
|
[(E)-2-[(1R,7R,8S,11R,15S)-1-hydroxy-4,8,12,12-tetramethyl-3,13-dioxatetracyclo[6.6.2.02,6.011,15]hexadeca-2(6),4-dien-7-yl]ethenyl] 3-methylbut-2-enoate
|
414.50
|
4.3
|
1
|
5
|
68.9
|
4
|
|
|
[(E)-2-[(1R,7R,8S,11R,15S)-1-methoxy-4,8,12,12-tetramethyl-3,13-dioxatetracyclo[6.6.2.02,6.011,15]hexadeca-2(6),4-dien-7-yl]ethenyl] 3-methylbut-2-enoate
|
428.60
|
4.9
|
0
|
5
|
57.9
|
5
|
|
|
[(E)-2-[(4S,6S,7S,8S,11R,15S)-4-methoxy-4,8,12,12-tetramethyl-3,13-dioxatetracyclo[6.6.2.02,6.011,15]hexadec-1-en-7-yl]ethenyl] 3-methylbut-2-enoate
|
430.60
|
4.4
|
0
|
5
|
53.99
|
5
|
|
|
Melampomagnolid B
|
264.32
|
1.1
|
1
|
4
|
59.06
|
1
|
|
|
(4S,5R,6S)-5-hydroxy-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
|
277.36
|
0.3
|
1
|
3
|
57.61
|
0
|
|
|
4-[(E)-2-[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
|
316.40
|
4.1
|
1
|
3
|
46.53
|
2
|
|
|
(5R,7R,8R,9R,10R,13R,17S)-17-(furan-3-yl)-7,17-dihydroxy-4,4,8,10,13-pentamethyl-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthrene-3,16-dione
|
424.50
|
3.3
|
2
|
5
|
87.74
|
1
|
|
|
Licoagroaurone
|
338.40
|
4.5
|
3
|
5
|
86.99
|
3
|
|
|
Eleutherol
|
244.24
|
2.6
|
1
|
4
|
55.76
|
1
|
|
|
Capnoidine
|
367.40
|
2.6
|
0
|
7
|
66.46
|
1
|
|
|
CID 120699
|
450.60
|
0.8
|
4
|
6
|
153.42
|
2
|
|
|
24-Methylene-cholest-5-en-3beta,7beta,19-triol
|
430.70
|
6.3
|
3
|
3
|
60.69
|
6
|
|
|
[(3S,7R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate
|
472.70
|
6.9
|
2
|
4
|
66.76
|
8
|
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