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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aS,5S,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
|
318.40
|
2.6
|
0
|
4
|
52.6
|
3
|
|
|
2-Ethyl-6-methylpyridine
|
121.18
|
2.1
|
0
|
1
|
12.89
|
1
|
|
|
Methyl 2-(1-hydroxy-4-oxocyclohexyl)acetate
|
186.20
|
0
|
1
|
4
|
63.6
|
3
|
|
|
methyl 2-[(1S,6S)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]acetate
|
200.19
|
-1
|
2
|
5
|
83.83
|
3
|
|
|
(5S,8R)-8-(hydroxymethyl)-3-methyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
|
234.33
|
3.4
|
2
|
2
|
40.46
|
2
|
|
|
[(1R,4S)-7-hydroxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl acetate
|
276.40
|
3.9
|
1
|
3
|
46.53
|
4
|
|
|
(3R,4aS,5S)-3-methoxy-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
|
248.36
|
2.7
|
0
|
2
|
26.3
|
2
|
|
|
Urospermal
|
278.30
|
-0.1
|
2
|
5
|
83.83
|
2
|
|
|
[(3aR,4S,6E,10Z,11aR)-6-formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
|
320.30
|
0.5
|
1
|
6
|
89.9
|
4
|
|
|
(4-Hydroxy-5-methyl-2-propan-2-ylphenyl) 3-phenylpropanoate
|
298.40
|
4.7
|
1
|
3
|
46.53
|
6
|
|
|
(2,4-Dihydroxy-6-methyl-3-propan-2-ylphenyl) acetate
|
224.25
|
2.5
|
2
|
4
|
66.76
|
3
|
|
|
(3,4-Dihydroxy-5-methyl-2-propan-2-ylphenyl) acetate
|
224.25
|
2.5
|
2
|
4
|
66.76
|
3
|
|
|
(5-Methyl-3,6-dioxo-2-propan-2-ylcyclohexa-1,4-dien-1-yl) acetate
|
222.24
|
1.5
|
0
|
4
|
60.44
|
3
|
|
|
1,6,10-Trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
|
234.33
|
3.7
|
0
|
2
|
26.3
|
0
|
|
|
(1R,3R,6R,7R,9R,10R,12R)-1,6,10-trimethyl-4-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one
|
234.33
|
3.7
|
0
|
2
|
26.3
|
0
|
|
|
3,9,10,18-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
364.40
|
0.3
|
4
|
6
|
107.22
|
0
|
|
|
[(1S,2R,4S,6S,9R,13S,16S,17R)-17-formyl-10,10-dimethyl-3-methylidene-8,15-dioxo-7,14-dioxapentacyclo[7.6.2.11,4.06,16.013,17]octadecan-2-yl] acetate
|
402.40
|
1.2
|
0
|
7
|
95.97
|
3
|
|
|
Acetylisocupressic acid
|
362.50
|
5.2
|
1
|
4
|
63.6
|
7
|
|
|
16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid
|
348.40
|
3.1
|
2
|
5
|
83.83
|
4
|
|
|
(4aS,10aS)-6-ethyl-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
|
300.40
|
5.6
|
0
|
2
|
26.3
|
2
|
|
|
(4aS,10aR)-6-ethyl-7-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
|
300.40
|
4.9
|
0
|
2
|
26.3
|
2
|
|
|
(1R,4aR,6aR,6aR,6bR,8aR,10S,12aS,13S,14R,14aR,14bS)-14-hydroxy-10-(4-hydroxyphenoxy)-13-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
594.80
|
7.6
|
3
|
6
|
96.22
|
4
|
|
|
(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,7,7a,10,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysene-6,9-dione
|
454.70
|
6.3
|
1
|
3
|
54.37
|
2
|
|
|
(4aS,5S,6aS,6aR,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-5-ol
|
426.70
|
9.5
|
1
|
1
|
20.23
|
0
|
|
|
2-[2-(9-Hydroxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl)propan-2-yloxy]-6-methyloxane-3,4,5-triol
|
384.50
|
1.3
|
4
|
6
|
99.38
|
3
|
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