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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene
|
410.70
|
10.4
|
0
|
0
|
0
|
0
|
|
|
(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
|
426.70
|
8.9
|
1
|
1
|
20.23
|
0
|
|
|
(-)-Phanostenine
|
325.40
|
2.9
|
1
|
5
|
51.16
|
1
|
|
|
(R)-(+)-4-Isopropylcyclohex-1-ene-1-carboxaldehyde
|
152.23
|
2.7
|
0
|
1
|
17.07
|
2
|
|
|
Phaseolus e
|
526.50
|
-2.3
|
7
|
12
|
203.44
|
4
|
|
|
Phaseolus epsilon
|
526.50
|
-2.3
|
7
|
12
|
203.44
|
4
|
|
|
5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
446.40
|
0.3
|
5
|
10
|
159.05
|
5
|
|
|
(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3-methoxy-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3a-ol
|
400.40
|
1.4
|
1
|
8
|
84.84
|
3
|
|
|
Arborinol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
Fernenol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
Isoarborinol
|
426.70
|
9
|
1
|
1
|
20.23
|
1
|
|
|
Aborenone
|
424.70
|
8.7
|
0
|
1
|
17.07
|
1
|
|
|
(3R,3aR,5aR,5bR,7aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
|
424.70
|
8.7
|
0
|
1
|
17.07
|
1
|
|
|
(3aR,5aS,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
|
232.32
|
3.1
|
0
|
2
|
26.3
|
0
|
|
|
5,7-Dihydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]chroman-4-one
|
340.40
|
4.2
|
2
|
5
|
75.99
|
4
|
|
|
CID 12305204
|
262.30
|
1.1
|
1
|
4
|
63.6
|
0
|
|
|
Raumitorine
|
382.50
|
2.7
|
1
|
5
|
63.79
|
3
|
|
|
(+)-Aristolone
|
218.33
|
3.6
|
0
|
1
|
17.07
|
0
|
|
|
Bayogenin
|
488.70
|
5.8
|
4
|
5
|
97.99
|
2
|
|
|
(4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
488.70
|
5.8
|
4
|
5
|
97.99
|
2
|
|
|
(1aR,4aR,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
Alloaromadendrene
|
204.35
|
4.7
|
0
|
0
|
0
|
0
|
|
|
Pseudocarpaine
|
478.70
|
6.3
|
2
|
6
|
76.66
|
0
|
|
|
Carpamsaure
|
257.37
|
0.1
|
3
|
4
|
69.56
|
8
|
|
|
5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-3,5-diene-1,2-dione
|
448.40
|
-0.5
|
6
|
11
|
191.05
|
6
|
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