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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4,9-Anhydrotetrodotoxin
|
301.25
|
-4.9
|
6
|
8
|
159.02
|
1
|
|
|
2-methoxy-5-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
|
310.30
|
4
|
1
|
4
|
47.92
|
6
|
|
|
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthrene-1,4,10-trione
|
314.40
|
4.3
|
0
|
3
|
51.21
|
1
|
|
|
4-[(2S,3S,4R,5R)-5-(3,4-dihydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
|
316.30
|
3.1
|
4
|
5
|
90.15
|
2
|
|
|
(1R,12R)-4-hydroxy-1,12-dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16)-tetraene-8,11-dione
|
326.40
|
4.1
|
1
|
4
|
63.6
|
1
|
|
|
[(1Z,3S,5E)-3-acetyloxy-6,10-dimethyl-2-(2-oxoethyl)undeca-1,5,9-trien-7-ynyl] acetate
|
332.40
|
3.5
|
0
|
5
|
69.67
|
10
|
|
|
(2R,3S)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
|
334.28
|
1.5
|
5
|
8
|
136.68
|
2
|
|
|
Puerarone
|
336.30
|
3.4
|
2
|
5
|
79.9
|
1
|
|
|
(1R,2S,4aS,4bS,7R,8S,8aS)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol
|
336.50
|
2.1
|
4
|
4
|
80.92
|
3
|
|
|
[4-[2-(3,5-Dihydroxyphenyl)ethyl]-2-(3-methylbut-2-enyl)phenyl] acetate
|
340.40
|
5.1
|
2
|
4
|
66.76
|
7
|
|
|
[(9R,10R)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
|
344.40
|
2.6
|
1
|
6
|
85.97
|
3
|
|
|
(3R,4aS,6aS,7R,10aR,11aS,11bR)-3,6a,7-trihydroxy-4,4,8,11b-tetramethyl-1,2,3,4a,5,6,7,10a,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one
|
350.40
|
1.4
|
3
|
5
|
86.99
|
0
|
|
|
Thalicthuberine
|
353.40
|
4.5
|
0
|
5
|
40.16
|
5
|
|
|
ludongnin I
|
362.50
|
3.4
|
0
|
5
|
61.83
|
1
|
|
|
(23R)-12,13-dimethoxy-5,7-dioxa-19-azahexacyclo[15.7.0.02,10.04,8.011,16.019,23]tetracosa-1(17),2,4(8),9,11(16),12,14-heptaene
|
377.40
|
4.6
|
0
|
5
|
40.16
|
2
|
|
|
2,5,6-Trimethyldecane
|
184.36
|
6.4
|
0
|
0
|
0
|
7
|
|
|
tanariflavanone D
|
440.50
|
4.8
|
5
|
7
|
127.45
|
7
|
|
|
2-[(8aR,10aS)-4-hydroxy-8,8,10a-trimethyl-8a,9-dihydro-7H-xanthen-1-yl]-5,7-dihydroxy-3-methoxychromen-4-one
|
450.50
|
5.2
|
3
|
7
|
109.36
|
2
|
|
|
[(1'S,2S,2'R,3'R,5'S,8'R,9'R,10'R,14'S)-9'-acetyloxy-2',5',14'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-10'-yl] acetate
|
452.50
|
0.5
|
3
|
8
|
125.82
|
4
|
|
|
2,2,3-Trimethyldecane
|
184.36
|
6.5
|
0
|
0
|
0
|
7
|
|
|
Norcaesalpinin D
|
476.50
|
2.2
|
1
|
9
|
129.34
|
6
|
|
|
[(2S,3S,4aS,6R,7S,8S,8aR)-7,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl 3,4,5-trihydroxybenzoate
|
510.40
|
-0.6
|
7
|
13
|
204.83
|
7
|
|
|
3-(3-tert-Butylphenyl)-2-methylpropanal
|
204.31
|
3.9
|
0
|
1
|
17.07
|
4
|
|
|
[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-[benzoyl(methyl)amino]-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
|
522.80
|
7.2
|
0
|
4
|
49.85
|
6
|
|
|
2-[4-[2,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-3,5-dimethoxyphenyl]-5,7-dihydroxychromen-4-one
|
526.50
|
2.8
|
5
|
11
|
168.28
|
9
|
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