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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3aS,4R,5R,6E,10E,11aR)-4-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
388.50
|
3.1
|
0
|
6
|
78.9
|
5
|
|
|
[(3aR,4R,5R,9R,9aS,9bS)-4,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
360.40
|
1
|
2
|
6
|
93.06
|
3
|
|
|
[(3aS,4R,5R,9S,9aS,9bS)-4-acetyloxy-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
|
402.40
|
1.5
|
1
|
7
|
99.13
|
5
|
|
|
[(1S,2S,6S,7R,8R,11R,13R,14S)-7-acetyloxy-14-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradec-9-en-8-yl] (Z)-2-methylbut-2-enoate
|
418.40
|
0.5
|
1
|
8
|
111.66
|
5
|
|
|
[(1S,2S,6S,7R,8R,11R,13R,14S)-8-acetyloxy-14-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate
|
418.40
|
0.5
|
1
|
8
|
111.66
|
5
|
|
|
5-Acetyl-6-methoxy-2-propan-2-ylidene-1-benzofuran-3-one
|
246.26
|
2.6
|
0
|
4
|
52.6
|
2
|
|
|
(1S,2S,4S,5S)-5-ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
|
238.37
|
3.8
|
2
|
2
|
40.46
|
3
|
|
|
[(1S,2S,4S,5S)-5-ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexyl] acetate
|
280.40
|
3.8
|
1
|
3
|
46.53
|
5
|
|
|
1-[(1R,3aS,4S,7R,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
|
238.37
|
2.6
|
1
|
2
|
37.3
|
2
|
|
|
8alpha-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
|
452.60
|
7.4
|
2
|
4
|
66.76
|
9
|
|
|
(1R,2R,4aR,5S,8aR)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
|
320.50
|
3.7
|
2
|
3
|
57.53
|
5
|
|
|
5-[(1R,4aalpha)-Decahydro-2alpha-hydroxy-2,5,5,8abeta-tetramethylnaphthalen-1beta-yl]-3-methyl-2-pentenal
|
306.50
|
5.2
|
1
|
2
|
37.3
|
4
|
|
|
(Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal
|
306.50
|
5.2
|
1
|
2
|
37.3
|
4
|
|
|
(1R,2S,4aR,4bS,7S,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-2-ol
|
304.50
|
4.6
|
2
|
2
|
40.46
|
2
|
|
|
(S)-2-Methylbutyl acetate
|
130.18
|
2.1
|
0
|
2
|
26.3
|
4
|
|
|
CID 14139388
|
272.40
|
4.2
|
1
|
2
|
29.46
|
0
|
|
|
Przewalskin
|
272.40
|
4.2
|
1
|
2
|
29.46
|
0
|
|
|
17-Oxolupanine
|
262.35
|
0.8
|
0
|
2
|
40.62
|
0
|
|
|
Calotropenol acetate
|
468.80
|
9.8
|
0
|
2
|
26.3
|
2
|
|
|
N-methyisopiline
|
311.40
|
3.1
|
1
|
4
|
41.93
|
2
|
|
|
Hept-6-en-2-one, 5-methyl
|
126.20
|
1.7
|
0
|
1
|
17.07
|
4
|
|
|
(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane
|
154.29
|
4.9
|
0
|
0
|
0
|
1
|
|
|
Dichlofluanid
|
333.20
|
3.6
|
0
|
6
|
74.3
|
5
|
|
|
2,6-Bis[(4-hydroxyphenyl)methyl]-3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol
|
470.60
|
6.9
|
3
|
5
|
79.15
|
9
|
|
|
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] propanoate
|
197.27
|
2
|
0
|
3
|
29.54
|
3
|
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