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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-Oxotingenol
|
436.60
|
6
|
2
|
4
|
74.6
|
0
|
|
|
Marchantinquinone
|
438.50
|
5.5
|
1
|
5
|
72.83
|
0
|
|
|
CID 10410865
|
438.50
|
-2.7
|
3
|
9
|
186.05
|
0
|
|
|
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
|
438.50
|
6.1
|
3
|
6
|
96.22
|
7
|
|
|
Betulone
|
440.70
|
8
|
1
|
2
|
37.3
|
2
|
|
|
(5R,8R,10R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
442.70
|
8.2
|
1
|
2
|
37.3
|
4
|
|
|
Rhinacanthin F
|
444.40
|
3.5
|
0
|
9
|
98.75
|
10
|
|
|
(6R)-3,5-dihydroxy-4-[[(1S,2R,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-2-[(2S)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
|
444.60
|
5.6
|
3
|
5
|
94.83
|
8
|
|
|
(1S,2S,4S,5'R,6R,7S,8R,9S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one
|
444.60
|
3.5
|
2
|
5
|
75.99
|
0
|
|
|
[(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] (Z)-2-methylpent-2-enoate
|
446.60
|
4.6
|
1
|
6
|
82.06
|
7
|
|
|
Orcinol gentiobioside
|
448.40
|
-2.4
|
8
|
12
|
198.76
|
6
|
|
|
Isochamuvaritin
|
452.50
|
6.4
|
3
|
5
|
86.99
|
6
|
|
|
14-methoxy-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
|
455.40
|
1.2
|
4
|
9
|
138.15
|
3
|
|
|
methyl (1S,3R,3aS,8aR)-3-(2-methoxy-2-oxoethyl)-8a-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,7,8-hexahydro-1H-azulene-6-carboxylate
|
458.50
|
0.2
|
4
|
10
|
151.98
|
8
|
|
|
(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,4S,5S)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
|
460.70
|
7.3
|
3
|
4
|
69.92
|
6
|
|
|
[(1S,2R,3S)-1,2-diacetyloxy-1-[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]heptan-3-yl] 2-chloroacetate
|
462.90
|
2.5
|
0
|
10
|
131.5
|
15
|
|
|
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
|
464.40
|
0.5
|
7
|
12
|
203.44
|
4
|
|
|
NCGC00169506-02_C30H48O4_(2alpha,3beta,5xi,9xi,13xi,18xi)-2,3-Dihydroxylup-20(29)-en-28-oic acid
|
472.70
|
7.2
|
3
|
4
|
77.76
|
2
|
|
|
Dawoensin A
|
476.60
|
2.6
|
1
|
8
|
116.2
|
6
|
|
|
1,9,13-Trimeth yl-8-tridecyl-1,5,9,13-tetraazacycloheptadecan-6-one
|
480.80
|
7.5
|
1
|
4
|
38.82
|
12
|
|
|
4-Hydroxybutanoic acid
|
104.10
|
-0.6
|
2
|
3
|
57.53
|
3
|
|
|
(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-6,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
|
484.70
|
3.3
|
2
|
5
|
87.13
|
4
|
|
|
Gemichalcone B
|
486.50
|
6.2
|
4
|
7
|
124.29
|
10
|
|
|
Nyssoside
|
490.40
|
0.2
|
4
|
13
|
187.49
|
4
|
|
|
1-Palmitoyl-galactosylglycerol
|
492.60
|
4.5
|
5
|
9
|
145.91
|
21
|
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