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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxyoxane-3,4,5-triol
|
314.37
|
0.5
|
4
|
6
|
99.38
|
4
|
|
|
Neryl beta-glucopyranoside
|
316.39
|
1.2
|
4
|
6
|
99.38
|
7
|
|
|
1,2,4-Nonadecanetriol
|
316.50
|
6.4
|
3
|
3
|
60.69
|
17
|
|
|
(3E,4S)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
|
318.40
|
4.4
|
1
|
3
|
46.53
|
2
|
|
|
[(3aR,4R,5R,6S,6aR,9aR,9bR)-4,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-5-yl] acetate
|
322.40
|
0.4
|
2
|
6
|
93.06
|
2
|
|
|
(4S,4aS,6aS,7R,11aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid
|
332.40
|
4
|
2
|
4
|
70.67
|
1
|
|
|
(4aR,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-1,1-bis(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
|
334.40
|
1.3
|
3
|
4
|
77.76
|
3
|
|
|
Abietic acid
|
302.50
|
4.8
|
1
|
2
|
37.3
|
2
|
|
|
(1R,5R,6R,7R)-7-(1,3-benzodioxol-5-yl)-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione
|
340.40
|
3.2
|
0
|
5
|
61.83
|
4
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2R,3S,4S)-3-hydroxy-4-methyl-1-prop-1-en-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl]oxy]oxane-3,4,5-triol
|
346.37
|
-1.1
|
5
|
8
|
128.84
|
4
|
|
|
2-[(1R,4R)-4,8-dihydroxy-3-oxo-2,4-dihydro-1H-naphthalen-1-yl]-8-hydroxynaphthalene-1,4-dione
|
350.30
|
1.9
|
3
|
6
|
111.9
|
1
|
|
|
2-[(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexyl]acetic acid
|
352.30
|
0.4
|
5
|
8
|
144.52
|
6
|
|
|
(+)-Tephrosone
|
352.40
|
3.5
|
2
|
5
|
75.99
|
3
|
|
|
Pyrogallol
|
126.11
|
0.5
|
3
|
3
|
60.69
|
0
|
|
|
methyl (2S,3R)-3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]oxypropanoate
|
353.32
|
0.1
|
2
|
9
|
135.31
|
11
|
|
|
(1R,5S,8R,9R)-8-(4-hydroxy-3-methoxyphenyl)-5-methoxy-9-methyl-3-prop-2-enyl-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
|
358.40
|
3
|
1
|
6
|
82.06
|
5
|
|
|
Annosquamosin A (terpene)
|
362.50
|
3.9
|
1
|
4
|
63.6
|
4
|
|
|
2,3,8,10-tetrahydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
|
368.30
|
3.6
|
4
|
7
|
120.36
|
1
|
|
|
((1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl)methyl benzoate
|
382.40
|
1.9
|
2
|
7
|
110.13
|
7
|
|
|
7-Deoxyauramycinone
|
382.40
|
3
|
3
|
7
|
121.13
|
2
|
|
|
Kushenol V
|
386.40
|
3.9
|
4
|
7
|
116.45
|
4
|
|
|
CID 10572278
|
387.40
|
1.2
|
2
|
6
|
94.09
|
4
|
|
|
(1S,2S)-2-[4-[(2S)-2,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
|
394.40
|
0.7
|
5
|
8
|
128.84
|
10
|
|
|
(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
395.60
|
5.8
|
0
|
2
|
29.43
|
2
|
|
|
(1R,5S,8R,9R)-5-methoxy-9-methyl-3-prop-2-enyl-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
|
402.40
|
3.3
|
0
|
7
|
80.29
|
7
|
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