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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Demethylcantharidate (disodium)
|
230.13
|
|
0
|
5
|
89.49
|
2
|
|
|
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
562.50
|
-1.1
|
6
|
13
|
197.74
|
7
|
|
|
(2S)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-[(2R)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
|
470.60
|
4.6
|
3
|
7
|
105.45
|
9
|
|
|
Azedarachol
|
420.60
|
4.6
|
3
|
5
|
86.99
|
4
|
|
|
[(3aR,5S,8R,9E,11aS)-5-hydroperoxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
|
322.40
|
1.4
|
1
|
6
|
82.06
|
3
|
|
|
(2R,3R,5S,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
|
550.60
|
-0.2
|
5
|
10
|
162.98
|
4
|
|
|
[(1S,4R,5S,8R,9R,12S,13R,14S,18R,21R)-5,21-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-13-yl]methyl acetate
|
516.60
|
1.5
|
2
|
9
|
124.66
|
4
|
|
|
3,8-dimethoxy-2-methyl-5-(5-phenylpentyl)-1H-quinolin-4-one
|
365.50
|
5.9
|
1
|
4
|
51.32
|
8
|
|
|
(5S)-5-[(5S)-5-hydroxy-5-phenylpentyl]-1,3-dimethoxy-2-methyl-5,6,7,8-tetrahydroquinolin-4-one
|
385.50
|
4.5
|
1
|
5
|
60.69
|
8
|
|
|
[(3aR,5S,8R,9E,11aS)-5-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-8-yl] acetate
|
306.40
|
1.4
|
1
|
5
|
72.83
|
2
|
|
|
methyl 3-[(1S,2S,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-6-oxo-2-prop-1-en-2-yl-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
|
502.70
|
3.6
|
3
|
6
|
104.06
|
6
|
|
|
(3aR,4aR,8R,8aS,9aS)-4a-hydroperoxy-8-hydroxy-8a-methyl-3,5-dimethylidene-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
|
280.32
|
1
|
2
|
5
|
75.99
|
1
|
|
|
Momilactone A
|
314.40
|
3.8
|
0
|
3
|
43.37
|
1
|
|
|
(1R,2S,6R,7S,8S,9S,12S,13R,16S,18R,19R)-16-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,8,18,19-tetrol
|
1245.40
|
-5.2
|
18
|
29
|
465.67
|
16
|
|
|
3-[(1S)-2-[(1S,3aR,4S,5R,7aR)-1,4,5,7a-tetramethyl-2-oxo-1,3,3a,5,6,7-hexahydroinden-4-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
|
336.40
|
2.5
|
2
|
5
|
83.83
|
3
|
|
|
(1R,9S,10R,16R)-16-(hydroxymethyl)-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
|
274.36
|
0.1
|
3
|
3
|
65.12
|
1
|
|
|
methyl 3-[(1R,4S,4aR,4bR,6aR,10aS,12aR)-4,6a-dihydroxy-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-6-oxo-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoate
|
504.70
|
3.5
|
3
|
6
|
104.06
|
5
|
|
|
3-methoxy-2-methyl-6-(9-phenylnonyl)-1H-pyridin-4-one
|
341.50
|
6.5
|
1
|
3
|
42.09
|
11
|
|
|
[(2R,4aS,8S,8aR)-5-[2-(furan-3-yl)ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
|
374.50
|
3.4
|
1
|
5
|
76.74
|
5
|
|
|
[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-14-[(E)-3-phenylprop-2-enoyl]oxy-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] benzoate
|
706.80
|
6.5
|
0
|
9
|
110.5
|
11
|
|
|
(1S,4aS,7R,8aR)-4-[2-(furan-3-yl)ethyl]-1,7-dihydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
|
332.40
|
2.8
|
2
|
4
|
70.67
|
3
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
632.80
|
5.3
|
5
|
9
|
153.75
|
4
|
|
|
[(1S,2S,4R,11R,12S,14R,15R,16S)-15-hydroxy-16-methyl-3-oxa-7-azapentacyclo[9.6.0.01,7.02,4.02,14]heptadecan-12-yl] 3-(4-hydroxyphenyl)propanoate
|
427.50
|
2.8
|
2
|
6
|
82.53
|
5
|
|
|
H-Lys-Cys(1)-Ser-Pro-Ser-Gly-Ala-Ile-Cys(2)-Ser-Gly-Phe-Gly-Pro-Pro-Glu-Gln-Cys(3)-Cys(1)-Ser-Gly-Ala-Cys(2)-Val-Pro-His-Pro-Ile-Leu-Arg-Ile-Phe-Val-Cys(3)-Gln-OH
|
3587.20
|
-10.5
|
43
|
54
|
1481.57
|
43
|
|
|
[(3S)-2-[(1S,2R,4S,6S)-2,4-diacetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate
|
448.50
|
3.7
|
0
|
8
|
108.5
|
11
|
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