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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
cyclo[Ala-Cys(1)-Pro-Arg-Ile-Leu-Gln-Lys-Cys(2)-Arg-Arg-Asn-Ser-Asp-Cys(3)-Pro-Ser-Ala-Cys(1)-Val-Cys(2)-Gln-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-D-Asp-Gly-Gly]
|
3439.80
|
-20.5
|
53
|
57
|
1683.45
|
44
|
|
|
(7aR)-7a-hydroxy-2-(2-phenylethyl)-3-sulfanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-one
|
276.36
|
1.6
|
1
|
3
|
75.87
|
3
|
|
|
7-[2,5-Dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
464.50
|
5.7
|
1
|
7
|
87.36
|
6
|
|
|
(1S,2S,3R,4R,7R,10S,12S,13R,14R,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,13,20-tetrahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosane-5,8-dione
|
490.50
|
-1.2
|
4
|
10
|
159.19
|
1
|
|
|
[(1S,3S,5R,6aS,7R,8R,10S,10aS)-1-acetyloxy-10-hydroxy-3-methoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
|
476.60
|
4.6
|
1
|
7
|
91.29
|
9
|
|
|
[(9S,10R)-3-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-1-methoxy-5,6,9,10-tetrahydronaphtho[1,2-f][1]benzofuran-10-yl]methyl acetate
|
462.50
|
4.3
|
2
|
7
|
94.45
|
6
|
|
|
2-[(2S)-butan-2-yl]-5,7-dihydroxychromen-4-one
|
234.25
|
2
|
2
|
4
|
70.67
|
2
|
|
|
cyclo[Ala-Cys(1)-Pro-Arg-Ile-Leu-Lys-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly-Ala-Cys(1)-Val-Cys(2)-Arg-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-Asp-Gly-Gly]
|
3438.90
|
-20.7
|
54
|
57
|
1659.17
|
46
|
|
|
(7aR)-7a-hydroxy-2-prop-2-enyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
|
196.20
|
-0.3
|
1
|
3
|
60.85
|
2
|
|
|
cyclo[Ala-Cys(1)-Gly-Glu-xiThr-Cys(2)-Ile-Trp-Gly-Lys-Cys(3)-Tyr-Ser-Ala-Ser-Ile-Gly-Cys(1)-Ser-Cys(2)-Ser-Lys-Tyr-Lys-Val-Cys(3)-Thr-Leu-Asn-Gly-Asn-Pro-Gly]
|
3380.90
|
-10.4
|
47
|
54
|
1482.48
|
38
|
|
|
(1S,2S,4R,6Z,8S,11R,12R)-8,14,16-trihydroxy-3,3,7,11-tetramethyl-12-phenyl-19-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-6,13,15,17-tetraene-15,17-dicarbaldehyde
|
490.60
|
5.6
|
3
|
6
|
104.06
|
3
|
|
|
(7aS)-2-(2-phenylethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
|
244.29
|
1.8
|
0
|
2
|
40.62
|
3
|
|
|
Euphoscopoid E
|
524.60
|
5.4
|
0
|
7
|
95.97
|
7
|
|
|
(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-17-ol
|
314.29
|
2.4
|
1
|
6
|
66.38
|
1
|
|
|
(1S,2S,3R,4R,7S,8S,10S,12R,14S,15R,17R,19S,20R)-3,4,8,20-tetrahydroxy-15-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-5-one
|
522.50
|
-1
|
4
|
11
|
164.51
|
2
|
|
|
(1S,6S)-6-[(3R)-3-[(1'S,3R,5aR,7S,9aS)-7-hydroxy-1',6,6,9a-tetramethyl-3'-methylidenespiro[1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalene-3,2'-cyclopentane]-1'-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
|
604.90
|
8.2
|
2
|
4
|
74.6
|
8
|
|
|
(E,6R)-6-[(1S,3R,6R,8R,11R,12S,13R,15R,16R)-13-hydroxy-6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid
|
486.70
|
7.7
|
2
|
4
|
66.76
|
6
|
|
|
(1S,2S,4R,8R,11R,12R)-8,14,16-trihydroxy-3,3,11-trimethyl-7-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
|
490.60
|
5.8
|
3
|
6
|
104.06
|
3
|
|
|
(1R,2R,4R,6R,7S,11S,16R)-1,7,11,15,15-pentamethyl-6-(5-oxo-1,2-dihydropyrrol-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-9,12-diene-14,18-dione
|
421.50
|
2.1
|
1
|
4
|
75.77
|
1
|
|
|
1,3,5-trimethoxy-2-[(E,2S)-4-(2,4,6-trimethoxyphenyl)but-3-en-2-yl]benzene
|
388.50
|
4.6
|
0
|
6
|
55.38
|
9
|
|
|
(3R)-5-[[(1S,3S,4R,4aR,8S,8aS)-8-hydroxy-5,8a-dimethyl-3-propan-2-yl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
|
560.60
|
-0.4
|
7
|
12
|
203.44
|
10
|
|
|
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2E,4S)-1-methyl-7-methylidene-8-oxo-4-propan-2-ylcyclodec-2-en-1-yl]oxyoxan-3-yl] (E)-3-phenylprop-2-enoate
|
528.60
|
4.1
|
3
|
8
|
122.52
|
8
|
|
|
(1R,4S,7S,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecane-1,11-diol
|
238.37
|
2.6
|
2
|
2
|
40.46
|
0
|
|
|
(2Z)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1S,2S,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
|
484.70
|
4.2
|
2
|
5
|
75.99
|
5
|
|
|
cyclo[Ala-Cys(1)-Pro-Lys-Ile-Leu-Gln-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly-Ala-Cys(1)-Val-Cys(2)-Gln-Gly-Asn-Gly-Tyr-Cys(3)-Gly-Ser-Gly-Ser-D-Asp-Gly-Gly]
|
3382.80
|
-21.4
|
50
|
57
|
1621.55
|
42
|
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