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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
|
354.40
|
3.7
|
0
|
6
|
63.22
|
4
|
|
|
3-(1,3-Benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde
|
356.30
|
3.4
|
2
|
7
|
102.29
|
3
|
|
|
Dihydrosesamin
|
356.40
|
2.8
|
1
|
6
|
66.38
|
4
|
|
|
Pyrrolidine, 1-(1-oxo-2,4-eicosadienyl)-, (E,E)-
|
361.60
|
9.2
|
0
|
1
|
20.31
|
16
|
|
|
(1R,2S,4aR,4bS,7S,8aR,10aR)-3',7-dihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,5'-furan]-2'-one
|
362.50
|
4.9
|
2
|
4
|
66.76
|
0
|
|
|
(E)-4-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
|
370.40
|
0
|
4
|
7
|
116.45
|
5
|
|
|
6,2'-Dihydroxy-5,7,8,6'-tetramethoxyflavone
|
374.30
|
2.4
|
2
|
8
|
107.59
|
5
|
|
|
Benzyl ethyl ether
|
136.19
|
2.3
|
0
|
1
|
9.23
|
3
|
|
|
(4aS,8S,8aS)-4,4,7,8a-tetramethyl-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,2,3,4a,5,8-hexahydronaphthalene
|
410.70
|
10.8
|
0
|
0
|
0
|
9
|
|
|
methyl (1S,2S,6Z,10S,11S)-6-butylidene-4-oxo-1-pentanoyl-5-oxatetracyclo[9.2.2.02,10.03,7]pentadeca-3(7),12-diene-13-carboxylate
|
412.50
|
4.3
|
0
|
5
|
69.67
|
8
|
|
|
Citrifolinin b epimer b
|
418.30
|
-3.2
|
5
|
12
|
180.2
|
5
|
|
|
3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
|
428.60
|
6.9
|
3
|
4
|
77.76
|
5
|
|
|
(2S,3S,4R,5R)-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane
|
432.50
|
4.2
|
0
|
7
|
64.61
|
8
|
|
|
Adenanthin F
|
434.50
|
2
|
2
|
7
|
110.13
|
4
|
|
|
(1R,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
|
436.60
|
5.3
|
0
|
4
|
52.6
|
1
|
|
|
(1S,4S,6S,9R,10R,13S,14S,17S)-9-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,14-dimethyl-5,19,20-trioxahexacyclo[11.5.2.01,14.04,6.04,13.06,10]icos-2-en-17-ol
|
442.60
|
5.2
|
1
|
4
|
51.22
|
4
|
|
|
Uvamalol D
|
446.90
|
3.3
|
1
|
7
|
99.13
|
13
|
|
|
3-Butylpyridine
|
135.21
|
2.5
|
0
|
1
|
12.89
|
3
|
|
|
Scorzocreticoside I
|
448.40
|
0.8
|
5
|
10
|
155.14
|
5
|
|
|
Garcimangosone A
|
460.50
|
6.6
|
2
|
6
|
89.13
|
2
|
|
|
Methylacetyleucalyptanoate
|
510.70
|
8.1
|
0
|
4
|
52.6
|
4
|
|
|
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
|
524.50
|
-0.6
|
6
|
12
|
184.6
|
8
|
|
|
cyclo[N(Me)Ala-Ala-ObPhe(S)-ObPhe(S)-OVal]
|
552.60
|
3.7
|
1
|
8
|
128.31
|
3
|
|
|
Taxumairol V
|
570.60
|
-0.3
|
4
|
12
|
186.12
|
10
|
|
|
3-(Acetylthio)-2-methylfuran
|
156.20
|
1.7
|
0
|
3
|
55.51
|
2
|
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