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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Anhydroverlotorin
|
246.30
|
1.4
|
0
|
3
|
43.37
|
0
|
|
|
4-Hydroxy-15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaen-3-one
|
327.40
|
2.8
|
1
|
5
|
59
|
2
|
|
|
Vwjsnopypvuarg-bpnnxiafsa-
|
486.70
|
3.8
|
3
|
5
|
86.99
|
2
|
|
|
(3S)-3-hydroxy-7,8-dimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaene-2,10-dione
|
383.40
|
1.7
|
1
|
7
|
94.53
|
2
|
|
|
Narceinone
|
459.40
|
0.2
|
1
|
10
|
120.83
|
10
|
|
|
N,N'-bis(3-hydroxy-5-methylphenyl)oxamide
|
300.31
|
2.4
|
4
|
4
|
98.66
|
2
|
|
|
[(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
|
346.40
|
0.9
|
1
|
6
|
89.9
|
4
|
|
|
9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-4-one
|
246.30
|
1.4
|
0
|
3
|
38.83
|
0
|
|
|
Ludartin
|
246.30
|
1.4
|
0
|
3
|
38.83
|
0
|
|
|
Premnaspirodiene
|
204.35
|
5.4
|
0
|
0
|
0
|
1
|
|
|
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
|
346.40
|
2.4
|
1
|
5
|
72.83
|
4
|
|
|
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
|
346.40
|
2.4
|
1
|
5
|
72.83
|
4
|
|
|
(3aS,6E,10E,11aS)-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione
|
246.30
|
1.8
|
0
|
3
|
43.37
|
0
|
|
|
4-Methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-f]isoquinolin-6-one
|
235.24
|
1.2
|
0
|
4
|
48
|
1
|
|
|
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-2,8-diacetyloxy-3,6-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
492.60
|
1.6
|
2
|
9
|
136.43
|
6
|
|
|
1-Methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1,4a-dicarboxylic acid
|
330.40
|
4.1
|
2
|
4
|
74.6
|
3
|
|
|
(1S,2R,4S,5R,8S,9R,12S,13R)-2-hydroxy-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one
|
282.33
|
1.8
|
1
|
5
|
64.99
|
0
|
|
|
Ajugamarin F4
|
534.60
|
3.6
|
0
|
9
|
117.73
|
12
|
|
|
(1S,2S,7R,9R,11S,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
|
542.60
|
0.5
|
5
|
11
|
164.37
|
5
|
|
|
Ajugamarin A2
|
590.70
|
2.8
|
0
|
11
|
144.03
|
13
|
|
|
(1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
|
329.40
|
3
|
2
|
5
|
62.16
|
4
|
|
|
(3aR,6R,8aR,9aR)-6-hydroxy-5,8a-dimethyl-3-methylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
|
248.32
|
1.6
|
1
|
3
|
46.53
|
0
|
|
|
(3S,3aR,5S,7S,8aR,9aR)-7-hydroxy-3,5,8a-trimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
|
250.33
|
2.1
|
1
|
3
|
46.53
|
0
|
|
|
15(R)-Hete
|
320.50
|
5.1
|
2
|
3
|
57.53
|
14
|
|
|
10-Methylphenazin-2(10H)-one
|
210.23
|
1.6
|
0
|
3
|
34.89
|
0
|
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