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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1S,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
260.33
|
0.6
|
1
|
3
|
45.47
|
0
|
|
|
Barbatolic acid
|
390.30
|
2.9
|
5
|
10
|
178.66
|
7
|
|
|
A1-Barrigenol
|
490.70
|
4.8
|
5
|
5
|
101.15
|
1
|
|
|
4,8a-Bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-2,3-diol
|
474.70
|
5.9
|
4
|
4
|
80.92
|
2
|
|
|
(2R,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
|
502.70
|
5.8
|
4
|
6
|
115.06
|
2
|
|
|
(S)-Batatic acid
|
196.20
|
1.5
|
1
|
4
|
67.51
|
5
|
|
|
(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aS,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
|
426.70
|
9
|
1
|
1
|
20.23
|
0
|
|
|
(+)-Bebeerine
|
594.70
|
6
|
2
|
8
|
83.86
|
2
|
|
|
CID 12300053
|
608.70
|
6.1
|
1
|
8
|
72.86
|
3
|
|
|
Grisabutine
|
596.70
|
6
|
3
|
8
|
94.86
|
8
|
|
|
trans-beta-Bergamotene
|
204.35
|
5.1
|
0
|
0
|
0
|
3
|
|
|
(+)-Endo-beta-bergamotene
|
204.35
|
5.1
|
0
|
0
|
0
|
3
|
|
|
(2R,3R,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
|
328.27
|
-1
|
5
|
9
|
145.91
|
2
|
|
|
(3S,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
412.70
|
8.3
|
1
|
1
|
20.23
|
5
|
|
|
14-Hydroxyisocaryophyllene
|
220.35
|
3.1
|
1
|
1
|
20.23
|
1
|
|
|
[(1R,4E,9R)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
|
220.35
|
3.1
|
1
|
1
|
20.23
|
1
|
|
|
14-Hydroxy-9-epi-caryophyllene
|
220.35
|
3.1
|
1
|
1
|
20.23
|
1
|
|
|
7,7a(2)-Dihydroxy[6,6a(2)-bi-2H-1-benzopyran]-2,2a(2)-dione
|
322.30
|
2.8
|
2
|
6
|
100.88
|
1
|
|
|
(4aS,8S,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene
|
272.50
|
7.2
|
0
|
0
|
0
|
3
|
|
|
Bisabolangelone
|
248.32
|
1.8
|
1
|
3
|
46.53
|
1
|
|
|
beta-Bisabolol
|
222.37
|
4
|
1
|
1
|
20.23
|
4
|
|
|
6-Epi-beta-bisabolol
|
222.37
|
4
|
1
|
1
|
20.23
|
4
|
|
|
(1S,9S)-5,12-dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-4,13-diol
|
327.40
|
2.6
|
2
|
5
|
62.16
|
2
|
|
|
2-[3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
465.40
|
|
9
|
11
|
211.83
|
4
|
|
|
CID 12300170
|
416.50
|
5.8
|
2
|
6
|
93.06
|
7
|
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