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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,11,11-Trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaen-8-ol
|
298.40
|
5.6
|
1
|
2
|
29.46
|
1
|
|
|
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
634.90
|
9.3
|
3
|
6
|
96.22
|
8
|
|
|
[(1R,2R,3aR,5S,6E,10R,11S,13R,13aS)-1,3a-diacetyloxy-11-benzoyloxy-2,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
|
690.70
|
4.1
|
2
|
12
|
179.8
|
10
|
|
|
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
604.90
|
9.4
|
3
|
5
|
86.99
|
7
|
|
|
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
634.90
|
9.3
|
3
|
6
|
96.22
|
8
|
|
|
[(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
604.90
|
9.4
|
3
|
5
|
86.99
|
7
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8S,8aS,12aS,14R,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-14-methoxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
797.00
|
3.7
|
8
|
13
|
207.99
|
7
|
|
|
3-Methylcyclohexyl acetate
|
156.22
|
2.4
|
0
|
2
|
26.3
|
2
|
|
|
Juliprosopin
|
630.00
|
10.4
|
4
|
5
|
67.76
|
22
|
|
|
1,4-Dihydroxy-5-methoxy-2-methylanthracene-9,10-dione
|
284.26
|
3.6
|
2
|
5
|
83.83
|
1
|
|
|
Desacetyluvaricin
|
606.90
|
11.2
|
2
|
6
|
85.22
|
25
|
|
|
(5S,5aS,8aR)-5-(1,3-benzodioxol-4-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
|
352.30
|
3.2
|
0
|
6
|
63.22
|
1
|
|
|
[1,3]Dioxolo[4,5-g]isoquinoline
|
173.17
|
1.9
|
0
|
3
|
31.35
|
0
|
|
|
Hadacidin
|
119.08
|
-1.2
|
2
|
4
|
77.84
|
2
|
|
|
Danshenxinkun D
|
336.40
|
3.7
|
1
|
4
|
63.6
|
1
|
|
|
Sitoindoside IV
|
977.40
|
12.4
|
7
|
12
|
195.6
|
27
|
|
|
6-Hydroxycevan-2-yl hexopyranoside
|
577.80
|
4
|
5
|
8
|
122.85
|
3
|
|
|
6-Oxocevan-2-yl hexopyranoside
|
575.80
|
3.7
|
4
|
8
|
119.69
|
3
|
|
|
Kushenol E
|
424.50
|
5.9
|
4
|
6
|
107.22
|
5
|
|
|
4-Methyl-1-pentene
|
84.16
|
2.7
|
0
|
0
|
0
|
2
|
|
|
Kaempferol-3-glucorhamnoside
|
594.50
|
-0.4
|
9
|
15
|
249.2
|
6
|
|
|
Caesalpin J
|
316.30
|
0.5
|
3
|
6
|
96.22
|
1
|
|
|
(2-Hydroxy-6-methoxyphenyl)methyl benzoate
|
258.27
|
2.9
|
1
|
4
|
55.76
|
5
|
|
|
1-[2,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
|
340.40
|
4.7
|
4
|
5
|
97.99
|
5
|
|
|
Ethyl 10-undecenoate
|
212.33
|
4.6
|
0
|
2
|
26.3
|
11
|
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