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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Dukunolide D
|
468.50
|
0.7
|
2
|
8
|
123.27
|
1
|
|
|
(2S,3S,7S,10R,16R,17R)-17-(furan-3-yl)-2,10-dihydroxy-3,8,8,16-tetramethyl-4,18-dioxapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),12-diene-5,9,19-trione
|
468.50
|
0.7
|
2
|
8
|
123.27
|
1
|
|
|
1-Hydroxy-5-methoxy-2-methylanthracene-9,10-dione
|
268.26
|
3.4
|
1
|
4
|
63.6
|
1
|
|
|
Pholidotin
|
586.90
|
12.6
|
1
|
3
|
46.53
|
9
|
|
|
(+)-(S)-dihydro-ar-turmerone
|
218.33
|
3.8
|
0
|
1
|
17.07
|
5
|
|
|
6,20,25-Trimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,16,18,20,22(33),24,26,31-tetradecaen-21-ol
|
590.70
|
6.6
|
1
|
8
|
82.51
|
3
|
|
|
6,20,25-Trimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tridecaen-21-ol
|
592.70
|
5.8
|
1
|
8
|
81.98
|
3
|
|
|
4,6,7,8-Tetramethoxyfuro[2,3-b]quinoline
|
289.28
|
2.6
|
0
|
6
|
62.95
|
4
|
|
|
(2R)-2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
|
259.30
|
1.9
|
1
|
4
|
51.46
|
1
|
|
|
8,13,13b,14-Tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
|
289.30
|
3
|
2
|
2
|
48.13
|
0
|
|
|
Ethane, 1,1-bis(ethylthio)-
|
150.30
|
2.8
|
0
|
2
|
50.6
|
4
|
|
|
1,4-Pentadien-3-yl radical
|
67.11
|
2.5
|
0
|
0
|
0
|
2
|
|
|
2-Ethyladamantane
|
164.29
|
4.6
|
0
|
0
|
0
|
1
|
|
|
(Z) 2,3-diiodoacrylic acid
|
323.86
|
1.6
|
1
|
2
|
37.3
|
1
|
|
|
3-Ethyl-2-methylheptane
|
142.28
|
5.1
|
0
|
0
|
0
|
5
|
|
|
Benzyl hexacosanoate
|
486.80
|
14.4
|
0
|
2
|
26.3
|
27
|
|
|
17-(3,4-Dihydroxy-6-methylheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
450.70
|
4.3
|
4
|
5
|
97.99
|
5
|
|
|
28-Norcastasterone
|
450.70
|
4.3
|
4
|
5
|
97.99
|
5
|
|
|
(2R,3S,5S,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
|
450.70
|
4.3
|
4
|
5
|
97.99
|
5
|
|
|
5,6,4'-Trihydroxy-3,7-dimethoxyflavone
|
330.29
|
2.8
|
3
|
7
|
109.36
|
3
|
|
|
4'-Hydroxy-3,5,6,7-tetramethoxyflavone
|
358.30
|
2.9
|
1
|
7
|
87.36
|
5
|
|
|
5,7,4'-Trihydroxy-3,8-dimethoxyflavone
|
330.29
|
2.8
|
3
|
7
|
109.36
|
3
|
|
|
Herbacetin 3,7-dimethyl ether
|
330.29
|
2.8
|
3
|
7
|
109.36
|
3
|
|
|
Gossypetin 3,7-dimethyl ether
|
346.30
|
2.5
|
4
|
8
|
129.59
|
3
|
|
|
5,7,3'-Trihydroxy-3,8,4'-trimethoxyflavone
|
360.30
|
2.8
|
3
|
8
|
118.59
|
4
|
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