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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Montacin
|
610.90
|
6.9
|
4
|
8
|
133.52
|
26
|
|
|
3-Methyl-1-butene
|
70.13
|
2.2
|
0
|
0
|
0
|
1
|
|
|
2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3,7-dihydroxychromen-4-one
|
624.60
|
5
|
8
|
11
|
209.12
|
5
|
|
|
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
638.60
|
2
|
7
|
14
|
225.81
|
9
|
|
|
Malvidin 3-(6''-p-caffeyglucoside)
|
655.60
|
|
8
|
14
|
236.36
|
10
|
|
|
1-O-Deacetyl-1-O-tigloylohchinolide A
|
686.80
|
5.6
|
0
|
10
|
127.57
|
9
|
|
|
(2R,3R,4R,5R,6S)-2-[(2R)-4-[(1S,2S,4S,6S,7S,8R,9S,12S,13R,14R,16R)-6,16-dihydroxy-7,9,13-trimethyl-14-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-methyloxane-3,4,5-triol
|
726.90
|
1.1
|
8
|
13
|
207.99
|
8
|
|
|
(2s,3s,4r,8z)-1-O-(beta-d-glucopyranosyl)-2-[(r)-2'-hydroxydocosanoyl]amino-8-octadecene-1,3,4-triol
|
816.20
|
12.2
|
8
|
10
|
189.17
|
39
|
|
|
Ethyl 4-deuteriobenzoate
|
151.18
|
2.6
|
0
|
2
|
26.3
|
3
|
|
|
(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
|
170.25
|
2
|
2
|
2
|
40.46
|
5
|
|
|
6-Methoxycoumarin
|
176.17
|
1.4
|
0
|
3
|
39.44
|
1
|
|
|
Senkyunolide F
|
206.24
|
1.4
|
1
|
3
|
46.53
|
2
|
|
|
(I+/-R,I(3)S)-I(3),4-Dimethyl-I+/--(2-methyl-1-propen-1-yl)benzenepropanol
|
218.33
|
4.1
|
1
|
1
|
20.23
|
4
|
|
|
(3R,6E)-nerolidol
|
222.37
|
4.6
|
1
|
1
|
20.23
|
7
|
|
|
(1R,3aR,4S,7R,8aR)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
|
222.37
|
4.3
|
1
|
1
|
20.23
|
1
|
|
|
Clausine O
|
227.21
|
2.7
|
3
|
3
|
73.32
|
1
|
|
|
(2E,6E,10S,11R)-10-hydroxy-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
|
236.35
|
3
|
1
|
2
|
37.3
|
0
|
|
|
(Z)-Pentadecenoic acid
|
240.38
|
6.5
|
1
|
2
|
37.3
|
12
|
|
|
methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
|
252.26
|
2.1
|
0
|
5
|
53.99
|
6
|
|
|
[(2S,3R)-2-[(E)-non-1-en-3,5,7-triynyl]oxan-3-yl] acetate
|
256.30
|
2.6
|
0
|
3
|
35.53
|
5
|
|
|
2,3-Dimethoxybenzo[g][1]benzofuran-4,5-dione
|
258.23
|
2
|
0
|
5
|
65.74
|
2
|
|
|
Lansamide I
|
263.30
|
3.8
|
0
|
1
|
20.31
|
4
|
|
|
Ricciocarpin B
|
264.32
|
2.3
|
0
|
4
|
52.6
|
1
|
|
|
(+)-1-[(Z)-(6,7-Dihydro-3-oxo-1(3H)-isobenzofuranylidene)methyl]propyl (2Z)-2-methyl-2-butenoate
|
288.34
|
3.2
|
0
|
4
|
52.6
|
5
|
|
|
(3R,6R)-6-[(4-methoxyphenyl)methyl]-4-methyl-3-propan-2-ylmorpholine-2,5-dione
|
291.34
|
2.8
|
0
|
4
|
55.84
|
4
|
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