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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4R)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
|
206.28
|
1.6
|
0
|
2
|
34.14
|
2
|
|
|
(4S)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
|
206.28
|
1.6
|
0
|
2
|
34.14
|
2
|
|
|
(Z)-3-(3,4-dihydroxyphenyl)prop-2-enal
|
164.16
|
1.1
|
2
|
3
|
57.53
|
2
|
|
|
5-Methoxy-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
|
274.31
|
2.9
|
0
|
4
|
48.67
|
1
|
|
|
[(3S,4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.9
|
0
|
2
|
26.3
|
2
|
|
|
24-Methylenecycloartanol acetate
|
482.80
|
10.9
|
0
|
2
|
26.3
|
7
|
|
|
3-Methyl-2-(2-methylpropyl)furan
|
138.21
|
3
|
0
|
1
|
13.14
|
2
|
|
|
(+)-Mayurone
|
206.32
|
3.6
|
0
|
1
|
17.07
|
0
|
|
|
Zijinlongine
|
383.40
|
2.1
|
1
|
7
|
69.62
|
2
|
|
|
8-Pentadecanone
|
226.40
|
6.2
|
0
|
1
|
17.07
|
12
|
|
|
Diethyl glutarate
|
188.22
|
1
|
0
|
4
|
52.6
|
8
|
|
|
(1S,2R,4aS,6aS,6aS,6bR,8aR,12aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
454.70
|
7
|
1
|
3
|
54.37
|
1
|
|
|
Gal(a1-4)a-Ido
|
342.30
|
-4.7
|
8
|
11
|
189.53
|
4
|
|
|
(3S)-3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
|
482.40
|
2.4
|
5
|
10
|
155.14
|
4
|
|
|
(3R,4R,4aR,5R,6aR,6aS,6bR,9S,10S,12aR,14bR)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
|
506.70
|
4
|
6
|
6
|
121.38
|
2
|
|
|
9-[(2R)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one
|
286.28
|
2.5
|
1
|
5
|
72.81
|
4
|
|
|
methyl (1R,9S,11S,14E,15S,17S,19R)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
|
410.50
|
1.8
|
1
|
7
|
77.1
|
5
|
|
|
methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
|
546.60
|
3
|
0
|
9
|
95.89
|
9
|
|
|
(1S,2R,3R,9R,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
680.70
|
6.8
|
8
|
9
|
171.07
|
4
|
|
|
Petunidin 3-O-arabinoside
|
484.80
|
|
7
|
11
|
180.6
|
5
|
|
|
9-Oxo-10,11-dehydroageraphorone
|
232.32
|
2.7
|
0
|
2
|
34.14
|
0
|
|
|
rel-(1S,2S,4S,5S)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate
|
332.30
|
1.3
|
0
|
7
|
87.5
|
4
|
|
|
8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
460.40
|
1
|
4
|
10
|
148.05
|
6
|
|
|
(2R,3R)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
|
340.40
|
4.1
|
3
|
5
|
86.99
|
3
|
|
|
Aglain C
|
630.70
|
4.2
|
3
|
8
|
126.79
|
9
|
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