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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-(E)-O-feruloyl-D-galactaric acid
|
386.31
|
-0.8
|
6
|
11
|
191.05
|
10
|
|
|
(4bS)-4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthren-3-one
|
298.40
|
4.9
|
1
|
2
|
37.3
|
1
|
|
|
Manwuweizic acid
|
470.70
|
7.7
|
2
|
4
|
74.6
|
9
|
|
|
Anwuweizicacid
|
456.70
|
7.6
|
2
|
3
|
57.53
|
5
|
|
|
4-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
|
234.29
|
2.2
|
2
|
3
|
57.53
|
2
|
|
|
2-[3-ethenyl-5-methoxycarbonyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
|
404.40
|
-1.6
|
5
|
11
|
172.21
|
8
|
|
|
Secoxyloganin methyl ester
|
418.40
|
-1.2
|
4
|
11
|
161.21
|
9
|
|
|
(10,16-Dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-3'-yl) acetate
|
487.70
|
3.6
|
3
|
6
|
88.02
|
2
|
|
|
4-butyl-3H-2-benzofuran-1-one
|
190.24
|
3.2
|
0
|
2
|
26.3
|
3
|
|
|
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,7-dione
|
440.70
|
8.1
|
0
|
2
|
34.14
|
0
|
|
|
Campanuline
|
426.70
|
9.7
|
0
|
1
|
9.23
|
0
|
|
|
2-(1,8-Dimethylspiro[4.5]dec-8-en-4-yl)propan-2-ol
|
222.37
|
3.6
|
1
|
1
|
20.23
|
1
|
|
|
Italicene ether
|
220.35
|
3.3
|
0
|
1
|
9.23
|
0
|
|
|
2-(2,6-Dihydroxyphenyl)-5,6,7,8-tetrahydroxychromen-4-one
|
318.23
|
1.6
|
6
|
8
|
151.59
|
1
|
|
|
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
504.70
|
4.6
|
5
|
6
|
118.22
|
3
|
|
|
3-Hydroxy-p-menth-1-en-6-one
|
168.23
|
1.4
|
1
|
2
|
37.3
|
1
|
|
|
6-(7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-2-yl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
|
608.70
|
2.6
|
2
|
9
|
100.93
|
3
|
|
|
Somniferine
|
608.70
|
2.6
|
2
|
9
|
100.93
|
3
|
|
|
[7,16a(2)-Bimorphinan]-6-one, 6a(2),7,7a(2),8,8a(2),14a(2)-hexadehydro-4,5:4a(2),5a(2)-diepoxy-14-hydroxy-3,3a(2),6a(2)-trimethoxy-17,17a(2)-dimethyl-, (5I+/-)-(5a(2)I+/-,16a(2)S)-
|
622.70
|
2.9
|
1
|
9
|
89.93
|
4
|
|
|
O-Methylsomniferine
|
622.70
|
2.9
|
1
|
9
|
89.93
|
4
|
|
|
(2E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one
|
218.33
|
3.8
|
0
|
1
|
17.07
|
0
|
|
|
[(1S,2S,5R,7R,8S,9S,10S,11R)-7-acetyloxy-9-hydroxy-12,12-dimethyl-6-methylidene-15-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
|
432.50
|
1.6
|
1
|
7
|
99.13
|
4
|
|
|
Odonicin
|
430.50
|
1.8
|
1
|
7
|
99.13
|
4
|
|
|
11-Ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol
|
357.50
|
1.7
|
2
|
4
|
52.93
|
1
|
|
|
7-Methoxy-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carbaldehyde
|
230.26
|
1.3
|
1
|
3
|
43.26
|
1
|
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