Exact Mass: 308.1911
Exact Mass Matches: 308.1911
Found 264 metabolites which its exact mass value is equals to given mass value 308.1911,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
5-O-Methylembelin
2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle) 5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].
Tetraphyllicine
(1R,9R,10S,12R,13E,16S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
Dihydrocapsiate
nonanoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester
Dihydrocapsiate is a member of methoxybenzenes and a member of phenols. Dihydrocapsiate is under investigation in clinical trial NCT00999297 (Effect of 4-week Dihydrocapsiate Ingestion on Resting Metabolic Rate). Constituent of fruits of Capsicum annuum. Dihydrocapsiate is found in many foods, some of which are orange bell pepper, herbs and spices, fruits, and italian sweet red pepper. Dihydrocapsiate is found in fruits. Dihydrocapsiate is a constituent of fruits of Capsicum annuum Dihydrocapsiate, as a compound of capsinoid family, is an orally active TRPV1 agonist. Dihydrocapsiate can be used for the research of metabolism disease[1].
Corchorifatty acid D
(10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
Constituent of Corchorus olitorius (Jews mallow). Corchorifatty acid D is found in tea, herbs and spices, and green vegetables. Corchorifatty acid B is found in green vegetables. Corchorifatty acid B is a constituent of Corchorus olitorius (Jews mallow).
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol
2-(hydroxymethyl)-6-[(3-hydroxyoctyl)oxy]oxane-3,4,5-triol
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol is found in pomes. (R)-1-O-b-D-glucopyranosyl-1,3-octanediol is a constituent of apples Constituent of apples. (R)-1-O-b-D-glucopyranosyl-1,3-octanediol is found in pomes.
Diplodiatoxin
1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid, 9ci
Diplodiatoxin is a metabolite of Diplodia maydis (parasite of sweet corn). Toxin causing diplodiosis disease of cattle and shee
Corchorifatty acid A
(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoic acid
Constituent of Corchorus olitorius (Jews mallow). Corchorifatty acid A is found in tea, herbs and spices, and green vegetables. Corchorifatty acid C is found in green vegetables. Corchorifatty acid C is a constituent of Corchorus olitorius (Jews mallow)
Methylgingerol
1-(3,4-dimethoxyphenyl)-5-hydroxydecan-3-one
Present in ginger. Methylgingerol is found in herbs and spices and ginger. Methylgingerol is found in ginger. Methylgingerol is present in ginge
Indecainide
9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboximidate
Indecainide is only found in individuals that have used or taken this drug. It is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.Indecainide acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers. C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadeca-6,8,12-trienoic acid
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid, also known as 3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoic acid, is considered to be a practically insoluble (in water) and relatively neutral molecule.
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadeca-6,8,12-trienoic acid
(6E,8E,10S,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid, also known as 3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoic acid, is considered to be a practically insoluble (in water) and relatively neutral molecule.
[7]-Gingerol
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
[7]-gingerol is a member of the class of compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one. [7]-gingerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [7]-gingerol can be found in ginger, which makes [7]-gingerol a potential biomarker for the consumption of this food product.
[1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-4-Ethoxy-1,2,3,4,4a,5,6,8a-octahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
[1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-4-Ethoxy-1,2,3,4,4a,5,6,8a-octahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
3-(1-methyl-piperidin-2-yl)-3,4-dihydro-2H-benzo[c]pyrido[1,2-a]azepin-6-one
3-(1-methyl-piperidin-2-yl)-3,4-dihydro-2H-benzo[c]pyrido[1,2-a]azepin-6-one
3alpha-hydroxy-13-oxo-14,15-dinor-labd-8(17)-en-19-oic acid
3alpha-hydroxy-13-oxo-14,15-dinor-labd-8(17)-en-19-oic acid
(+/-)-nitraraine|(-)-nitraraine|Alloyohimb-16-en-16-methanol|Nitraraine|yohimb-16-en-16-yl-methanol
(+/-)-nitraraine|(-)-nitraraine|Alloyohimb-16-en-16-methanol|Nitraraine|yohimb-16-en-16-yl-methanol
3-[(7-Hydroxy-13-methyl-1-tetradecene-3,5-diynyl)-oxy]-1,2-propanediol
3-[(7-Hydroxy-13-methyl-1-tetradecene-3,5-diynyl)-oxy]-1,2-propanediol
N(1)-methyl-14,15-didehydro-12-hydroxyaspidofractinine
N(1)-methyl-14,15-didehydro-12-hydroxyaspidofractinine
methyl (2Z,11Z,1R,2R)-2-(1,2-dihydroxypropyl)tetradeca-2,11-dien-13-ynoate
methyl (2Z,11Z,1R,2R)-2-(1,2-dihydroxypropyl)tetradeca-2,11-dien-13-ynoate
Ac -ent-12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid
Ac -ent-12-Hydroxy-13,14,15,16-tetranor-1(10)-halimen-18-oic acid
5-O-Methylembelin
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-undecyl-
5-O-methyl embelin is a member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. It has a role as a metabolite, a hepatitis C protease inhibitor, an antileishmanial agent and an antineoplastic agent. It is an enol ether and a member of monohydroxy-1,4-benzoquinones. It is functionally related to an embelin. 5-O-Methylembelin is a natural product found in Lysimachia punctata, Embelia schimperi, and other organisms with data available. 5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle) 5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol
NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol
C18H28O4_(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
NCGC00385282-01_C18H28O4_(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845933]
NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000845933]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based: Match]
NCGC00380218-01!(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol [IIN-based: Match]
2-(3-(8-Hydroxyoctyl)phenoxy)-2-methylpropanoic acid
2-(3-(8-Hydroxyoctyl)phenoxy)-2-methylpropanoic acid
2-Pyrrolidinone, 4-(2-aminoethyl)-1-ethyl-3,3-diphenyl- (AHR 5904)
2-Pyrrolidinone, 4-(2-aminoethyl)-1-ethyl-3,3-diphenyl- (AHR 5904)
Indecainide
9-(3-(Isopropylamino)propyl)-9-fluorenylcarboxamid;9-(3-(Isopropylamino)propyl))fluorene-9-carboxamide;Indecainida [Spanish];Indecainidum [Latin];Ricainid;Ricainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol
2-(hydroxymethyl)-6-[(3-hydroxyoctyl)oxy]oxane-3,4,5-triol
diplodiatoxin
1,2,4a,5,6,7,8,8a-Octahydro-1-(3-hydroxy-1-oxopropyl)-1,3,6,8-tetramethyl-2-naphthalenecarboxylic acid, 9ci
Dihydrocapsiate
8-Methylnonanoic acid (4-hydroxy-3-methoxyphenyl)methyl ester
Dihydrocapsiate, as a compound of capsinoid family, is an orally active TRPV1 agonist. Dihydrocapsiate can be used for the research of metabolism disease[1].
Cymatherol A
7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1R)-1-Hydroxypropyl]cyclopropyl]-6Z-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid
Cymatherol B
7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1S)-1-Hydroxypropyl]cyclopropyl]-6Z-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid
1-BOC-2-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(2-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(2-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(3-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
2′-(Di-tert-butylphosphino)acetophenone ethylene ketal
2′-(Di-tert-butylphosphino)acetophenone ethylene ketal
tert-butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
tert-butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
1-BENZYL-4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDINE]
1-BENZYL-4,5-DIHYDRO-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDINE]
1-BOC-3-[(2-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(2-FLUOROBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-2-[(2-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(2-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(3-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
1-BOC-2-[(3-FLUORO-PHENYLAMINO)-METHYL]-PIPERIDINE
tert-Butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylate
tert-Butyl 4-(benzylamino)-3-fluoropiperidine-1-carboxylate
[3-Carboxy-2-(4-phenylbutanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-phenylbutanoyloxy)propyl]-trimethylazanium
1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
(3R,5R)-7-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(3R,5R)-7-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-6-methylheptoxy)oxane-3,4,5-triol
2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxyacetic acid
2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxyacetic acid
(1R,9R,10S,12R,13E,16S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
(1R,9R,10S,12R,13E,16S,18R)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
(10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoic acid
(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoic acid
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid
5-O-methyl embelin
5-O-methyl embelin
A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease.
(1s,14r,19r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
(1s,14r,19r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
(1r,12s,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-11-one
(1r,12s,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-11-one
(2s,3r,12br)-3-ethenyl-2-[(1e)-2-methoxyethenyl]-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
(2s,3r,12br)-3-ethenyl-2-[(1e)-2-methoxyethenyl]-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
3-ethenyl-2-(2-methoxyethenyl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
3-ethenyl-2-(2-methoxyethenyl)-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
8-[(1r,5s)-5-hydroxy-4-oxo-5-[(2z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoic acid
8-[(1r,5s)-5-hydroxy-4-oxo-5-[(2z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoic acid
methyl (2z,11z)-2-[(1r,2r)-1,2-dihydroxypropyl]tetradeca-2,11-dien-13-ynoate
methyl (2z,11z)-2-[(1r,2r)-1,2-dihydroxypropyl]tetradeca-2,11-dien-13-ynoate
methyl 2-[(1r,4r,4ar,6s,8as)-4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate
methyl 2-[(1r,4r,4ar,6s,8as)-4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate
methyl 2-[(3s,3as,5r,8s,8as)-3-(acetyloxy)-3a,8-dimethyl-octahydro-1h-azulen-5-yl]prop-2-enoate
methyl 2-[(3s,3as,5r,8s,8as)-3-(acetyloxy)-3a,8-dimethyl-octahydro-1h-azulen-5-yl]prop-2-enoate
(10s,11e,14r)-10-hydroxy-14-[(2z)-pent-2-en-1-yl]-1-oxacyclotetradec-11-ene-2,13-dione
(10s,11e,14r)-10-hydroxy-14-[(2z)-pent-2-en-1-yl]-1-oxacyclotetradec-11-ene-2,13-dione
(2r,3s,5r,6r,8r)-8-[(1e)-dec-1-en-1-yl]-4,9-dioxatricyclo[5.3.0.0³,⁵]dec-1(7)-ene-2,6-diol
(2r,3s,5r,6r,8r)-8-[(1e)-dec-1-en-1-yl]-4,9-dioxatricyclo[5.3.0.0³,⁵]dec-1(7)-ene-2,6-diol
3-{2-[(5-amino-5-carboxypentyl)-c-hydroxycarbonimidoyl]ethyl}-1,4-dimethylpyridin-1-ium
3-{2-[(5-amino-5-carboxypentyl)-c-hydroxycarbonimidoyl]ethyl}-1,4-dimethylpyridin-1-ium
[(1r,2r,5r,9r,10s,12s,16r)-6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.0¹,¹².0⁵,¹⁶]hexadec-6-en-2-yl]methanol
[(1r,2r,5r,9r,10s,12s,16r)-6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.0¹,¹².0⁵,¹⁶]hexadec-6-en-2-yl]methanol
(4r,6r)-6-{2-[(1r,2r,3s,8ar)-3-hydroxy-2-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
(4r,6r)-6-{2-[(1r,2r,3s,8ar)-3-hydroxy-2-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
(2r,3r,4s,5s,6r)-2-{[(3r)-3-ethyl-4-hydroxy-4-methylpentyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(3r)-3-ethyl-4-hydroxy-4-methylpentyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(16s)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(16s)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(1s,4as,5s,8ar)-5-(3-carboxypropyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(1s,4as,5s,8ar)-5-(3-carboxypropyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(1s,2r,4as,6r,8r,8as)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-2-carboxylic acid
(1s,2r,4as,6r,8r,8as)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-2-carboxylic acid
affinisine
NA
{"Ingredient_id": "HBIN014774","Ingredient_name": "affinisine","Alias": "NA","Ingredient_formula": "C20H24N2O","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)CO","Ingredient_weight": "308.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "669","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101286222","DrugBank_id": "NA"}
(3z,5e)-7-hydroxy-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3-methylocta-3,5-dien-2-one
(3z,5e)-7-hydroxy-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3-methylocta-3,5-dien-2-one
(2e)-13-[(3e,4s,5r)-4-hydroxy-5-methyl-2-oxooxolan-3-ylidene]tridec-2-enal
(2e)-13-[(3e,4s,5r)-4-hydroxy-5-methyl-2-oxooxolan-3-ylidene]tridec-2-enal
(1r,12r,15r,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-16-one
(1r,12r,15r,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-16-one
{6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.0¹,¹².0⁵,¹⁶]hexadec-6-en-2-yl}methanol
{6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.0¹,¹².0⁵,¹⁶]hexadec-6-en-2-yl}methanol
14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6-triene
14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6-triene
10-hydroxy-14-(pent-2-en-1-yl)-1-oxacyclotetradec-11-ene-2,13-dione
10-hydroxy-14-(pent-2-en-1-yl)-1-oxacyclotetradec-11-ene-2,13-dione
(1s,15s,20s)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaen-19-ylmethanol
(1s,15s,20s)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaen-19-ylmethanol
5-[(1e,4e)-9-hydroxy-3-methoxy-4,8-dimethyldeca-1,4-dien-1-yl]-5-methylfuran-2-one
5-[(1e,4e)-9-hydroxy-3-methoxy-4,8-dimethyldeca-1,4-dien-1-yl]-5-methylfuran-2-one
(2r,3ar,4r,5s,7as)-2-acetyl-7a-hydroxy-3a,4-dimethyl-hexahydro-1h-inden-5-yl (2z)-2-methylbut-2-enoate
(2r,3ar,4r,5s,7as)-2-acetyl-7a-hydroxy-3a,4-dimethyl-hexahydro-1h-inden-5-yl (2z)-2-methylbut-2-enoate
(10e,12e,14e,16r)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(10e,12e,14e,16r)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
(10e,12e,14e,16s)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(10e,12e,14e,16s)-16-hydroxy-9-oxooctadeca-10,12,14-trienoic acid
(1r,9r,10s,12r,13e,16s,17s,18s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
(1r,9r,10s,12r,13e,16s,17s,18s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
1-ethyl-13,14-dihydroxy-1h,4h,5h,6h,7h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
1-ethyl-13,14-dihydroxy-1h,4h,5h,6h,7h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
2-hydroxy-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-hexahydro-2h-naphthalene-1-carboxylic acid
2-hydroxy-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-hexahydro-2h-naphthalene-1-carboxylic acid
3-(2-{[(5s)-5-amino-5-carboxypentyl]-c-hydroxycarbonimidoyl}ethyl)-1,4-dimethyl-4h-pyridin-4-yl
3-(2-{[(5s)-5-amino-5-carboxypentyl]-c-hydroxycarbonimidoyl}ethyl)-1,4-dimethyl-4h-pyridin-4-yl
2,5-dihydroxy-3-methyl-6-undecylcyclohexa-2,5-diene-1,4-dione
2,5-dihydroxy-3-methyl-6-undecylcyclohexa-2,5-diene-1,4-dione
(1r,12s,13r,14e,19s,21s)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6-triene
(1r,12s,13r,14e,19s,21s)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6-triene
2-(1h-indol-3-ylmethyl)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one
2-(1h-indol-3-ylmethyl)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one
(6z)-7-[(1s,3s,4s,6s,7r)-6-hydroxy-3-[(2z)-pent-2-en-1-yl]-2-oxabicyclo[2.2.1]heptan-7-yl]hept-6-enoic acid
(6z)-7-[(1s,3s,4s,6s,7r)-6-hydroxy-3-[(2z)-pent-2-en-1-yl]-2-oxabicyclo[2.2.1]heptan-7-yl]hept-6-enoic acid
3-{4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-diene-2-carbonyl}-2,3-dihydro-1h-indole
3-{4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-diene-2-carbonyl}-2,3-dihydro-1h-indole
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(3r)-3-hydroxyoctyl]oxy}oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(3r)-3-hydroxyoctyl]oxy}oxane-3,4,5-triol
(6e)-7-{6-hydroxy-3-[(2e)-pent-2-en-1-yl]-2-oxabicyclo[2.2.1]heptan-7-yl}hept-6-enoic acid
(6e)-7-{6-hydroxy-3-[(2e)-pent-2-en-1-yl]-2-oxabicyclo[2.2.1]heptan-7-yl}hept-6-enoic acid
(1s,12as,13r,14r,15ar)-1-ethyl-13,14-dihydroxy-1h,4h,5h,6h,7h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
(1s,12as,13r,14r,15ar)-1-ethyl-13,14-dihydroxy-1h,4h,5h,6h,7h,10h,12ah,13h,14h,15h,15ah-cyclopenta[c]oxacyclotetradecan-3-one
methyl 2-[(1r,4r,4ar,6s,8ar)-4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate
methyl 2-[(1r,4r,4ar,6s,8ar)-4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate
(3r,5s)-3-hydroxy-5-[(1r,4r,5s,6r,8s)-8-(hydroxymethyl)-4-isopropyl-1-methyl-7-methylidenebicyclo[3.2.1]octan-6-yl]oxolan-2-one
(3r,5s)-3-hydroxy-5-[(1r,4r,5s,6r,8s)-8-(hydroxymethyl)-4-isopropyl-1-methyl-7-methylidenebicyclo[3.2.1]octan-6-yl]oxolan-2-one
(2r,5e,6r,8s)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,⁶.0⁸,¹⁹.0¹³,¹⁸]icosa-12(19),13,15,17-tetraene
(2r,5e,6r,8s)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,⁶.0⁸,¹⁹.0¹³,¹⁸]icosa-12(19),13,15,17-tetraene
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-[(2-methylpropoxy)methyl]oxirane
2-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-[(2-methylpropoxy)methyl]oxirane
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-16-one
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-16-one
[(1s,14r,15z)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
[(1s,14r,15z)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
(1r,14r,19r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
(1r,14r,19r)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosa-2(10),4,6,8,17-pentaen-17-ylmethanol
(3s)-3-[(1r,5r)-4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-diene-2-carbonyl]-2,3-dihydro-1h-indole
(3s)-3-[(1r,5r)-4,4,8-trimethyl-3-azabicyclo[3.3.1]nona-2,7-diene-2-carbonyl]-2,3-dihydro-1h-indole
5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,⁶.0⁸,¹⁹.0¹³,¹⁸]icosa-12(19),13,15,17-tetraene
5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,⁶.0⁸,¹⁹.0¹³,¹⁸]icosa-12(19),13,15,17-tetraene
[(1r,4r,5s)-6-formyl-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-en-8-yl]methyl 2-hydroxypropanoate
[(1r,4r,5s)-6-formyl-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-en-8-yl]methyl 2-hydroxypropanoate
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-19-one
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-19-one
2-[(3-ethyl-4-hydroxy-4-methylpentyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[(3-ethyl-4-hydroxy-4-methylpentyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 2-[3-(acetyloxy)-3a,8-dimethyl-octahydro-1h-azulen-5-yl]prop-2-enoate
methyl 2-[3-(acetyloxy)-3a,8-dimethyl-octahydro-1h-azulen-5-yl]prop-2-enoate
(3e,5r,6e,8s,9e,13s,14r)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(3e,5r,6e,8s,9e,13s,14r)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(2z,4e,6e)-2-hydroxy-18-oxooctadeca-2,4,6-trienoic acid
(2z,4e,6e)-2-hydroxy-18-oxooctadeca-2,4,6-trienoic acid
(1s,2r,3as,7s,9s,9as,9br)-2-methoxy-1,9,9a-trimethyl-1h,2h,3ah,4h,5h,7h,8h,9h,9bh-naphtho[2,1-b]furan-7-yl acetate
(1s,2r,3as,7s,9s,9as,9br)-2-methoxy-1,9,9a-trimethyl-1h,2h,3ah,4h,5h,7h,8h,9h,9bh-naphtho[2,1-b]furan-7-yl acetate
(3r,5s)-3-hydroxy-5-[(1r,4r,5s,8s)-8-(hydroxymethyl)-4-isopropyl-1-methyl-7-methylidenebicyclo[3.2.1]octan-6-yl]oxolan-2-one
(3r,5s)-3-hydroxy-5-[(1r,4r,5s,8s)-8-(hydroxymethyl)-4-isopropyl-1-methyl-7-methylidenebicyclo[3.2.1]octan-6-yl]oxolan-2-one
7-[6-hydroxy-3-(pent-2-en-1-yl)-2-oxabicyclo[2.2.1]heptan-7-yl]hept-6-enoic acid
7-[6-hydroxy-3-(pent-2-en-1-yl)-2-oxabicyclo[2.2.1]heptan-7-yl]hept-6-enoic acid
14,14,18-trimethyl-5,13-diazahexacyclo[13.3.1.0²,¹³.0⁴,¹².0⁴,¹⁸.0⁶,¹¹]nonadeca-6,8,10-trien-16-one
14,14,18-trimethyl-5,13-diazahexacyclo[13.3.1.0²,¹³.0⁴,¹².0⁴,¹⁸.0⁶,¹¹]nonadeca-6,8,10-trien-16-one
4-hydroxy-6-[2-(3-hydroxy-2-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]oxan-2-one
4-hydroxy-6-[2-(3-hydroxy-2-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]oxan-2-one
[(1s,12s,13r,15e)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
[(1s,12s,13r,15e)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
(1r,12r,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-19-one
(1r,12r,15s,17s)-1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-19-one
(5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
(5s)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
methyl 2-(4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl)prop-2-enoate
methyl 2-(4-ethoxy-6-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl)prop-2-enoate
(1r,2r,4ar,5s,8ar)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-hexahydro-2h-naphthalene-1-carboxylic acid
(1r,2r,4ar,5s,8ar)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-hexahydro-2h-naphthalene-1-carboxylic acid
(5e)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,⁶.0⁸,¹⁹.0¹³,¹⁸]icosa-12(19),13,15,17-tetraene
(5e)-5-ethylidene-9-methyl-3-oxa-1,9-diazapentacyclo[10.6.1.1²,⁶.0⁸,¹⁹.0¹³,¹⁸]icosa-12(19),13,15,17-tetraene
(2r,3r)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-[(2-methylpropoxy)methyl]oxirane
(2r,3r)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-[(2-methylpropoxy)methyl]oxirane
methyl 2-(1,2-dihydroxypropyl)tetradeca-2,11-dien-13-ynoate
methyl 2-(1,2-dihydroxypropyl)tetradeca-2,11-dien-13-ynoate
(1s,12s,15e,16s)-15-ethylidene-13-methyl-19-oxa-3,13-diazapentacyclo[14.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]icosa-2(10),4,6,8-tetraene
(1s,12s,15e,16s)-15-ethylidene-13-methyl-19-oxa-3,13-diazapentacyclo[14.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]icosa-2(10),4,6,8-tetraene
1-(6-ethyl-4-hydroxy-2-methoxy-3-methylphenyl)-5-hydroxy-2-methylheptan-3-one
1-(6-ethyl-4-hydroxy-2-methoxy-3-methylphenyl)-5-hydroxy-2-methylheptan-3-one
{15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl}methanol
{15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl}methanol
(1s,2r,4r,12s,15s,18r)-14,14,18-trimethyl-5,13-diazahexacyclo[13.3.1.0²,¹³.0⁴,¹².0⁴,¹⁸.0⁶,¹¹]nonadeca-6,8,10-trien-16-one
(1s,2r,4r,12s,15s,18r)-14,14,18-trimethyl-5,13-diazahexacyclo[13.3.1.0²,¹³.0⁴,¹².0⁴,¹⁸.0⁶,¹¹]nonadeca-6,8,10-trien-16-one
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-11-one
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-11-one
2-acetyl-7a-hydroxy-3a,4-dimethyl-hexahydro-1h-inden-5-yl 2-methylbut-2-enoate
2-acetyl-7a-hydroxy-3a,4-dimethyl-hexahydro-1h-inden-5-yl 2-methylbut-2-enoate
3-hydroxy-5-[8-(hydroxymethyl)-4-isopropyl-1-methyl-7-methylidenebicyclo[3.2.1]octan-6-yl]oxolan-2-one
3-hydroxy-5-[8-(hydroxymethyl)-4-isopropyl-1-methyl-7-methylidenebicyclo[3.2.1]octan-6-yl]oxolan-2-one
(1r,10s,13e,16s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
(1r,10s,13e,16s)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
8-[5-hydroxy-4-oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid
8-[5-hydroxy-4-oxo-5-(pent-2-en-1-yl)cyclopent-2-en-1-yl]octanoic acid
[(1s,12s,13s,14r,15e)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
[(1s,12s,13s,14r,15e)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
(1r,2s,4ar,6s,8r,8as)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-2-carboxylic acid
(1r,2s,4ar,6s,8r,8as)-1-(3-hydroxypropanoyl)-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-2-carboxylic acid
