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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Gypsogenic acid
|
486.70
|
6.7
|
3
|
5
|
94.83
|
2
|
|
|
Selin-11-en-4alpha-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
1
|
|
|
Intermedeol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
1
|
|
|
(1R,4aS,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
1
|
|
|
(1R,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
1
|
|
|
(3S,4aR,6aR,6aR,6bR,8aR,12R,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
|
426.70
|
9.1
|
1
|
1
|
20.23
|
0
|
|
|
(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
331.50
|
4.8
|
2
|
2
|
32.26
|
2
|
|
|
Irehdiamine B
|
330.50
|
4.5
|
2
|
2
|
38.05
|
2
|
|
|
(1R,2R,3S,1'R)-Nepetalinic acid
|
200.23
|
1.7
|
2
|
4
|
74.6
|
3
|
|
|
(10S)-3,4,5,16-Tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaen-17-ol
|
385.50
|
3.4
|
1
|
6
|
60.39
|
4
|
|
|
Kulactone
|
452.70
|
6.9
|
0
|
3
|
43.37
|
3
|
|
|
Melannein
|
314.29
|
2.3
|
2
|
6
|
89.13
|
3
|
|
|
3,7,8,3',4'-Pentahydroxyflavone
|
302.23
|
1.6
|
5
|
7
|
131.36
|
1
|
|
|
Melianodiol
|
488.70
|
4.7
|
3
|
5
|
86.99
|
3
|
|
|
2-[[5-hydroxy-7-(hydroxymethyl)-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
524.50
|
-5.7
|
10
|
15
|
248.45
|
7
|
|
|
2H-1,3-Oxazine
|
83.09
|
-0.3
|
0
|
2
|
21.59
|
0
|
|
|
8,9-dihydroxy-3,5a,9-trimethyl-5,6,7,8,9a,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one
|
266.33
|
1
|
2
|
4
|
66.76
|
0
|
|
|
(12R,13S)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
|
281.30
|
1.7
|
2
|
4
|
50.72
|
0
|
|
|
Apateline
|
548.60
|
5.5
|
2
|
7
|
72.42
|
1
|
|
|
Mikanin
|
344.30
|
3.1
|
2
|
7
|
98.36
|
4
|
|
|
Miliacin
|
440.70
|
9.9
|
0
|
1
|
9.23
|
1
|
|
|
Millettosin
|
394.40
|
2.9
|
1
|
7
|
83.45
|
0
|
|
|
(1R,14R)-14-hydroxy-7,7-dimethyl-2,8,18,20,24-pentaoxahexacyclo[12.11.0.03,12.04,9.015,23.017,21]pentacosa-3(12),4(9),5,10,15,17(21),22-heptaen-13-one
|
394.40
|
2.9
|
1
|
7
|
83.45
|
0
|
|
|
Milliamine
|
791.90
|
5
|
5
|
11
|
191.8
|
11
|
|
|
Speciociliatine
|
398.50
|
3.4
|
1
|
5
|
63.79
|
6
|
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