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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Nimbanal
|
510.60
|
1.9
|
0
|
8
|
109.11
|
7
|
|
|
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-14-acetyloxy-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 3-methylbutanoate
|
598.70
|
4
|
0
|
9
|
110.5
|
10
|
|
|
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
|
448.50
|
-0.5
|
6
|
10
|
158.3
|
10
|
|
|
(3S,3aS,7R,9S,10E,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
|
266.33
|
0.8
|
2
|
4
|
66.76
|
0
|
|
|
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
|
198.26
|
3.1
|
1
|
1
|
20.23
|
6
|
|
|
Tinosporaside
|
492.50
|
0.2
|
4
|
10
|
155.89
|
4
|
|
|
(3S,4aS,6aR,6bS,8aR,12aR,14aS,14bR)-3-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-3,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-2H-picen-1-one
|
440.70
|
7.9
|
1
|
2
|
37.3
|
0
|
|
|
2,4,4-trimethyl-6-[(E)-3-oxobut-1-enyl]cyclohexan-1-one
|
208.30
|
2.3
|
0
|
2
|
34.14
|
2
|
|
|
(1S,4aR,5R,6S,8aS)-1-hydroxy-6,8a-dimethylspiro[4a,6,7,8-tetrahydro-4H-naphthalene-5,2'-oxirane]-1,2-dicarbaldehyde
|
264.32
|
1.2
|
1
|
4
|
66.9
|
2
|
|
|
[3-[3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carbonyl]oxy-5-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-methylcyclopentyl]methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
|
944.90
|
-2.8
|
9
|
23
|
350.49
|
23
|
|
|
Alyxialactone
|
200.23
|
0.5
|
2
|
4
|
66.76
|
1
|
|
|
4-Epialyxialactone
|
200.23
|
0.5
|
2
|
4
|
66.76
|
1
|
|
|
2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
|
272.29
|
3.8
|
2
|
4
|
66.76
|
5
|
|
|
1-Nonen-4-ol
|
142.24
|
3
|
1
|
1
|
20.23
|
6
|
|
|
9-Octadecyne
|
250.50
|
8.8
|
0
|
0
|
0
|
12
|
|
|
cis-p-2-Menthen-1-ol
|
154.25
|
2.5
|
1
|
1
|
20.23
|
1
|
|
|
Tricyclo(4.1.0.02,7)hept-3-ene
|
92.14
|
1.5
|
0
|
0
|
0
|
0
|
|
|
[2-(4-Acetyloxy-3-methoxyphenyl)-4-[(4-acetyloxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl acetate
|
486.50
|
3.2
|
0
|
9
|
106.59
|
12
|
|
|
6-(Methylthio)hexyl glucosinolate
|
449.60
|
0.4
|
5
|
12
|
225.09
|
12
|
|
|
3-Isothiocyanatopropan-1-OL
|
117.17
|
1.3
|
1
|
3
|
64.68
|
3
|
|
|
4-Methoxy-3-indolylmethylisothiocyanate
|
218.28
|
3.4
|
1
|
3
|
69.47
|
3
|
|
|
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
|
218.28
|
3.7
|
0
|
3
|
58.61
|
3
|
|
|
1,2,3,4,5,8-Hexahydronaphthalene
|
134.22
|
2.6
|
0
|
0
|
0
|
0
|
|
|
[(1S,2S,6R,7S,11R)-11-hydroxy-5,9,13-trimethylidene-4-oxo-3,14-dioxatricyclo[9.2.1.02,6]tetradecan-7-yl] 2-methylprop-2-enoate
|
346.40
|
1.8
|
1
|
6
|
82.06
|
3
|
|
|
Olean-12-en-28-oic acid
|
440.70
|
9
|
1
|
2
|
37.3
|
1
|
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