Exact Mass: 502.3083

2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid

2-methyl-2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-propanoic acid

C29H46N2O3S (502.3229)

GW7647 is a potent PPARα agonist, with EC50s of 6 nM, 1.1 μM, and 6.2 μM for human PPARα, PPARγ and PPARδ, respectively.

Kadcoccilactone B

(+)-Kadcoccilactone B

propolone A

3alpha-hydroxylup-20(28)-en-30-ol-23,28-dioic acid

Ile Asp Lys Lys

(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-carboxypropanamido]hexanamido]hexanoic acid

C22H42N6O7 (502.3115)

Arg Thr Ala Arg

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]propanamido]-5-carbamimidamidopentanoic acid

C19H38N10O6 (502.2976)

Thr Gln Leu Lys

C22H42N6O7 (502.3115)

3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]

NCGC00385760-01!(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based: Match]

(2S,3S,9R,13R,14S,16R)-2,3,16-trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one [IIN-based on: CCMSLIB00000848112]

16alpha-Hydroxygypsogenic acid

A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and hydroxy groups at positions 3 and 16 ( the 3beta,16alpha stereoisomer).

(3S,4S,6aR,6bS,8aR,14bR)-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

2,3-dihydro-3beta-methoxy withaferin A

A withanolide that is 2,3-dihydrowithaferin A substituted by a beta-methoxy group at position 3. It has been isolated from the aerial parts of Physalis longifolia.

7-Epiclusianone

An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities.

Clusianone

Rel-2alpha,3alpha,23-trihydroxy-19-oxo-18,19-seco-urs-11,13(18)-dien-28-oic acid

A tetracyclic triterpenoid of the 8,19-seco-ursane-type skeleton isolated from the leaves of Rosa laevigata.

(4R,7R,8S)-N-cyclohexyl-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxopropylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide

C27H42N4O5 (502.3155)

1-[(1R)-1-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-2-(2-pyridinyl)ethanone

C30H38N4O3 (502.2944)

(1S,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(2,6-dideoxy-3,4-O-isopropylidene-beta-D-ribo-hexopyranosyl)oxy]methyl}-4-formyl-3-isopropyl-7-methyl-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid

GW 7647

2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid

C29H46N2O3S (502.3229)

GW7647 is a potent PPARα agonist, with EC50s of 6 nM, 1.1 μM, and 6.2 μM for human PPARα, PPARγ and PPARδ, respectively.

6-epi-clusianone, (rel)-

(1'r,2r,2's,5'r,6'r,9's,10's,12's,14's)-9'-hydroxy-6',10'-dimethyl-5'-[(1s)-1-[(1s,3r,5r)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-en-5-one

(1'r,2r,2's,5'r,6'r,9's,10's,12's,14's)-9'-hydroxy-6',10'-dimethyl-5'-[(1s)-1-[(1s,3r,5r)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-7'-en-5-one

3-[(1s,4r,5r,8s,10s,12r,13r)-10-hydroxy-12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoic acid

3-[(1s,4r,5r,8s,10s,12r,13r)-10-hydroxy-12-(2-hydroxypropan-2-yl)-4,8-dimethyl-5-[(1s)-1-[(2s)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]tetracyclo[7.5.0.0¹,¹³.0⁴,⁸]tetradecan-13-yl]propanoic acid

(1r,2r,5r,6r,7s,8r,10s,11r,14s,15s,16r,17r,20s)-7,8,16-trihydroxy-6-(hydroxymethyl)-2,6,10,16,17-pentamethylhexacyclo[12.8.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricos-12-ene-20-carboxylic acid

3-[(2e,6e,10s,11r,15z)-17-carboxy-10,11-dihydroxy-3,7,11,15-tetramethylheptadeca-2,6,15-trien-1-yl]-4-hydroxybenzoic acid

9-benzyl-5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

(2r,4ar,5r,6as,6br,8ar,9r,12ar,12br,14bs)-5-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid

(9r,14as)-9-benzyl-5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

(6r)-6-[(1r)-1-[(1r,3as,3bs,5r,5ar,9ar,9bs,11as)-5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethyl]-3-(methoxymethyl)-4-methyl-5,6-dihydropyran-2-one

(6r)-6-[(1r)-1-[(1r,3as,3bs,5r,5ar,9ar,9bs,11as)-5,5a-dihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethyl]-3-(methoxymethyl)-4-methyl-5,6-dihydropyran-2-one

(1s,2r,5s,6s,7r,9r,11s,12s,15s,16s)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one

(1r,4as,6as,6br,8ar,9s,10s,11r,12s,12ar,12bs,14bs)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(1r,4as,6as,6br,8ar,9s,10s,11r,12s,12ar,12bs,14bs)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(1s,2s,4s,5r,6s,8r,9r,11r,12s,13r,14r,15s,18s,21r,22s,23r)-8,9,12,13-tetrahydroxy-6,14,15,21,22-pentamethyl-10-methylidene-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-25-one

{[(4e,8s,9s,10e,12s,13r,14s,16r)-3,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),2,4,10,18(22),19-hexaen-9-yl]oxy}methanimidic acid

(1r,4as,6as,6br,8ar,9s,10r,11r,12r,12ar,12bs,14bs)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(1r,4as,6as,6br,8ar,9s,10r,11r,12r,12ar,12bs,14bs)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

1-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-1h,2h,3h,3bh,4h,8h,9h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione

(1s,2r,3s,4r,7r,12r,14r,16r,17r,18r,19r,21r,22s)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-9-one

(1s,2r,3s,4r,7r,12r,14r,16r,17r,18r,19r,21r,22s)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-9-one

(1s,6r,7s,9r,10s,12r,15r,16s,18s,20r,21s)-11,11-bis(hydroxymethyl)-20-methoxy-7,15,16,21-tetramethyl-19-oxahexacyclo[19.2.1.0¹,¹⁸.0³,¹⁶.0⁶,¹⁵.0⁷,¹²]tetracosa-2,4-diene-9,10-diol

(1r,7r)-1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-9-one

6-{3,4-dihydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1h,2h,3h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohexanoic acid

(1s,2r,5s,6s,7r,9r,11s,12s,15r,16s)-6-hydroxy-15-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one

(1s,2r,5s,6s,7r,9r,11s,12s,15r,16s)-6-hydroxy-15-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one

(3s,5s,6r,9s,14as)-9-benzyl-5,7-dihydroxy-3-[(2r,7r)-7-hydroxyoctan-2-yl]-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione

(2r,3r,4s,5s,6r)-2-{[(3r,4as,6as,8r,10ar,10bs)-3-[(1s)-1,2-dihydroxyethyl]-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C26H46O9 (502.3142)

[(1r,2r)-2-hydroxy-5-oxo-6-[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl 3-hydroxy-3-methyl-5-oxohexanoate

1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,8-dihydroxy-6,6,9a,11a-tetramethyl-1h,2h,3h,3ah,3bh,4h,8h,9h,9bh,11h-cyclopenta[a]phenanthrene-7,10-dione

6-{4,7-dihydroxy-6,6,9a,11a-tetramethyl-3,10-dioxo-1h,2h,3ah,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxoheptanoic acid