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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(18alpha,19alpha)-5alpha-Urs-20(30)-en-3-one
|
424.70
|
8.8
|
0
|
1
|
17.07
|
0
|
|
|
(4aS,8R,8aR)-8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-2-carbaldehyde
|
202.29
|
2.8
|
0
|
1
|
17.07
|
2
|
|
|
6-alpha-Acetoxygedunin
|
540.60
|
3.8
|
0
|
9
|
121.64
|
5
|
|
|
Styrene, 2,5-dimethoxy-alpha,4-dimethyl-
|
192.25
|
3.6
|
0
|
2
|
18.46
|
3
|
|
|
2-Hexenoic acid
|
114.14
|
1.6
|
1
|
2
|
37.3
|
3
|
|
|
Fercomin
|
386.50
|
3.4
|
1
|
5
|
72.83
|
5
|
|
|
Phytyl stearate
|
563.00
|
17.2
|
0
|
2
|
26.3
|
31
|
|
|
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] tetradecanoate
|
637.10
|
16.7
|
0
|
2
|
26.3
|
15
|
|
|
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] pentadecanoate
|
651.10
|
17.2
|
0
|
2
|
26.3
|
16
|
|
|
Sambuculin a
|
665.10
|
17.8
|
0
|
2
|
26.3
|
17
|
|
|
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] heptadecanoate
|
679.20
|
18.3
|
0
|
2
|
26.3
|
18
|
|
|
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] octadecanoate
|
693.20
|
18.9
|
0
|
2
|
26.3
|
19
|
|
|
1-Deoxycapsidiol
|
220.35
|
3.9
|
1
|
1
|
20.23
|
1
|
|
|
Sventenic acid
|
318.40
|
3.9
|
2
|
3
|
57.53
|
1
|
|
|
(2R)-3-[2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
|
318.40
|
4.5
|
1
|
3
|
46.53
|
3
|
|
|
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,14-diol
|
442.70
|
7.9
|
2
|
2
|
40.46
|
0
|
|
|
(1R,9S,10R,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
|
260.37
|
1.2
|
2
|
2
|
41.13
|
0
|
|
|
(1R,9S,10R,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
|
258.36
|
1.5
|
2
|
2
|
44.89
|
0
|
|
|
(2S)-1-[(1R,9S,10R,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-yl]propan-2-ol
|
300.40
|
2.7
|
2
|
3
|
45.15
|
2
|
|
|
(1S,6S,8S,9E)-8-hydroxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one
|
275.40
|
1
|
1
|
3
|
40.54
|
0
|
|
|
(1S,6S,8R,9E)-8-hydroxy-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-2-one
|
275.40
|
1
|
1
|
3
|
40.54
|
0
|
|
|
[(1S,6S,8S,9E)-4,13-dimethyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-8-yl] acetate
|
317.40
|
1.6
|
0
|
4
|
46.61
|
2
|
|
|
(1S,8S,14R,17R)-5,12-dimethyl-5,9-diazatetracyclo[8.7.0.01,14.08,17]heptadeca-9,12-dien-16-one
|
272.40
|
0.4
|
0
|
3
|
32.67
|
0
|
|
|
(1S,6S,9E)-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-diene-2,8-dione
|
273.37
|
1.4
|
0
|
3
|
37.38
|
0
|
|
|
(13aS)-2,3,4,9,10-pentamethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
|
385.50
|
3.2
|
0
|
6
|
49.39
|
5
|
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