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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
15-(5,6-Dimethylhept-1-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
5
|
|
|
[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
|
486.80
|
9.1
|
1
|
3
|
46.53
|
6
|
|
|
Dammaradienyl acetate
|
468.80
|
10.5
|
0
|
2
|
26.3
|
6
|
|
|
Zizyberanalic acid
|
470.70
|
7.5
|
2
|
4
|
74.6
|
3
|
|
|
3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-7,10-dione
|
361.40
|
5.2
|
1
|
3
|
59.16
|
3
|
|
|
5-[(1-methoxy-3-methylcarbazol-9-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
|
472.60
|
7.7
|
1
|
2
|
39.18
|
3
|
|
|
1-methoxy-2-[(9-methoxycarbazol-3-yl)methyl]-3-methyl-9H-carbazole
|
420.50
|
7.5
|
1
|
2
|
39.18
|
4
|
|
|
Cichoriolide A
|
248.32
|
1.6
|
1
|
3
|
46.53
|
0
|
|
|
5a,9-dimethyl-3-methylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
410.50
|
0
|
4
|
8
|
125.68
|
3
|
|
|
(3aS,5aS,8S,9bS)-5a,9-dimethyl-3-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
410.50
|
0
|
4
|
8
|
125.68
|
3
|
|
|
4-Hydroxy-3,6-dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
440.40
|
-2.2
|
5
|
10
|
162.98
|
4
|
|
|
3,6-Dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
424.40
|
-1.2
|
4
|
9
|
142.75
|
4
|
|
|
4-Hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
278.30
|
-0.6
|
2
|
5
|
83.83
|
1
|
|
|
(1R,6S,7S)-6,8,8-trimethyl-2-methylidenetricyclo[5.2.2.01,6]undecane
|
204.35
|
5.1
|
0
|
0
|
0
|
0
|
|
|
Cynaroside A
|
444.50
|
-0.8
|
6
|
10
|
166.14
|
4
|
|
|
Cynaratriol
|
282.33
|
0.8
|
3
|
5
|
86.99
|
1
|
|
|
(3S,3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
|
426.50
|
-1.1
|
5
|
9
|
145.91
|
3
|
|
|
[(1S,3S,4R,4aS,8S,8aR)-3-hydroxy-3,4,8,8a-tetramethyl-7-oxo-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,8-hexahydronaphthalen-1-yl] benzoate
|
452.50
|
3.6
|
1
|
6
|
89.9
|
5
|
|
|
3-[(E)-2-[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
|
284.40
|
6.2
|
0
|
1
|
13.14
|
2
|
|
|
2,3-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-10,11-diol
|
327.40
|
2.6
|
2
|
5
|
62.16
|
2
|
|
|
(3aR,8aR,9aR)-8a-methyl-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-5-carbaldehyde
|
246.30
|
2.3
|
0
|
3
|
43.37
|
1
|
|
|
(3aR,4aR,8aR,9aR)-8a-methyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-5-carbaldehyde
|
246.30
|
2.4
|
0
|
3
|
43.37
|
1
|
|
|
(x)-2-Heptanol glucoside
|
278.34
|
0.7
|
4
|
6
|
99.38
|
7
|
|
|
Olean-12-ene-28-carboxy-3beta-hexadecanoate
|
695.10
|
15.4
|
1
|
4
|
63.6
|
17
|
|
|
Alnustin
|
328.30
|
3.5
|
1
|
6
|
78.13
|
4
|
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