Exact Mass: 280.1587

Chissonox 201

3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate

Fantridone

5-(3-(Dimethylamino)propyl)phenanthridin-6(5H)-one

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

brefeldin A

Brefeldin, 7-epi

D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.035 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.034 [Raw Data] CB245_Brefeldin-A_pos_50eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_40eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_30eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_20eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_10eV_isCID-10eV_rep000008.txt Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5]. Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5].

Feruloylcholine

(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium

C15H22NO4 (280.1549)

Feruloylcholine is a constituent of garlic mustard (Alliaria officinalis). Constituent of garlic mustard (Alliaria officinalis).

(E)-5-hydroxy-1,7-diphenylhept-6-en-3-one

Tyrosyl-Valine

2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-methylbutanoic acid

Tyrosyl-Valine is a dipeptide composed of tyrosine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

Feruloyl-2-hydroxyputrescine

(2E)-N-(4-Amino-2-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidate

Feruloyl-2-hydroxyputrescine is found in cereals and cereal products. Feruloyl-2-hydroxyputrescine is an alkaloid from Triticum aestivum (wheat). Alkaloid from Triticum aestivum (wheat). Feruloyl-2-hydroxyputrescine is found in wheat and cereals and cereal products.

Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate

Methyl 2-(7-hydroxy-8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propanoic acid

Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables. Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables.

(6E)-1-(4-hydroxyphenyl)-7-phenylhept-6-en-3-one

(4E)-6-hydroxy-1,7-diphenylhept-4-en-3-one

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide

4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.

3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide

6-hydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is found in green vegetables. 3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is a constituent of Petasites japonicus (sweet coltsfoot).

7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one

(4E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one

7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices. 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices.

2-hydroxy-1,7-diphenylhept-4-en-3-one

Valyltyrosine

(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

Valyltyrosine is a dipeptide composed of valine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. H-Val-Tyr-OH is an endogenous metabolite.

Prehumulinic acid

3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(4-methylpentanoyl)cyclopent-2-en-1-one

Prehumulinic acid is found in alcoholic beverages. Prehumulinic acid is a constituent of hops Constituent of hops. Prehumulinic acid is found in alcoholic beverages.

Phenacetyl-carnitine

[(2R)-3-carboxy-2-[(2-phenylacetyl)oxy]propyl]trimethylazanium

C15H22NO4+ (280.1549)

(1R,7S,13S,15S)-2,15-Dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

1,13-dihydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one

Lisofylline

1-(5-hydroxyhexyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4-(1,3-Dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)benzoic acid

2-Aminobenzylstatine

4-{[(2-aminophenyl)methyl]amino}-3-hydroxy-6-methylheptanoic acid

C15H24N2O3 (280.1787)

4-O-Methylhonokiol

2-[4-methoxy-3-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol

4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.

8-Hydroxymianserin

5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol

Albifylline

1-(5-hydroxy-5-methylhexyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents

1,7-diphenyl-5-hydroxy-6-hepten-3-one

(5R)-trans-1,7-diphenyl-5-hydroxy-6-hepten-3-one

(5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1]. (5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-one is the methylene chloride extract of Alpinia nutans, has antioxidant activity[1].

7alpha-Hydroxycatuabine H

(-)-7alpha-Hydroxycatuabine H

Calpurmenine

C15H24N2O3 (280.1787)

3beta,5alpha-Dihydroxycostic acid methyl ester

Trichodermatide D

5-Hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene

Radulanin A

Trichodermatide B

3,5-dihydroxy-4-prenylstilbene

5alpha-Hydroperoxycostic acid methyl ester

3beta,13alpha-Dihydroxylupanine

C15H24N2O3 (280.1787)

Tylimanthin B

7-Hydroxy-2,2-dimethyl-5-(2-phenylethyl)chromene

Furodysinin hydroperoxide

1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl)-3-hydroxypropane-1-one

Hexane-1,5-diol 1-O-beta-D-glucopyranoside

C12H24O7 (280.1522)

(-)-Zafronic acid methyl ester

Radulanin I

Mairetolide E

7-Isobutyryloxythymohydroquinone dimethyl ether

Pestalotheol C

A natural product found in Pestalotiopsis theae.

4-methoxyhonokiol

4-O-Methyl honokiol

7beta-Hydroxycatuabine I

6-Heptyl-3-methoxy-4-methylene-4,5,6,7a-tetrahydro-furo[2,3-b]pyran-2-one

SCHEMBL11422316

[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4,6-dihydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester

2-(3-Methyl-1-butenyl)-5-(2-phenylethenyl)-1,3-benzenediol

(2S,4S,5S,7S)-10-Hydroxy-7-isopropyl-2-methoxy-4-methyl-1-oxaspiro[4,6]undec-10-en-8-one

7beta-Hydroxycatuabine H

(-)-7beta-Hydroxycatuabine H

6-Hydroxy-1,7-diphenyl-4-hepten-3-one

Mianserin 2-Oxide

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3278

Maybridge3_004255

CCG-84

C15H24N2OS (280.1609)

Dehydromiltirone

3,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-

TCMDC-131557

(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one

Nocapyrone D

5-Ketone,6alpha,7alpha-epoxide,Me ester-Cantabrenonic acid

10-Hydroxyapparicine

Di-O-methylsequirin-D|Sequirin-D-dimethylether

9,10-Dihydro-4-ethenyl-1,8-dimethyl-2-methoxyphenanthrene-7-ol

(+)-5(6)-dihydro-6-methoxyterrecyclic acid A

Me ester-5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid

Me ester-5(4鈥樏傗垎3)-Abeo-5-hydroxy-4-oxo-11(13)-eudesmen-12-oic acid|methyl-5beta-hydroxy-4-oxo-11(13)-dehydroiphionoate

isotorquatone

SCHEMBL7796792

3,8-Dimethyl-4-vinyl-7-methoxy-9,10-dihydrophenanthrene-1-ol

8-Hydroxy-10-(5-methyl-4-oxo-2-cyclopenten-1-yl)-9-decenoic acid

5-Hydroxy-7-(2-phenylethyl)-2,2-dimethyl-2H-1-benzopyran

7-Oxo-8-carbomethoxypinguisenol|7-oxo-pinguisenol-12-methyl ester|7-Oxopinguisenol-12-methyl ester

9-Acetoxy-4,5-dehydronerolisobutyrat

(-)-4-((2S,4R,6S)-tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-yl)benzene-1,2-diol|(2S,4R,6S)-2-(3,4-hydroxyphenyl)-4-hydroxy-6-pentyltetrahydropyran

Hermosillol

2-(1-Methylethenyl)-4-phenethyl-2,3-dihydrobenzofuran-6-ol

Di-Me ether-(S)-(E)-Hinodiresinol

Papuanone

6beta-methoxy-8beta-hydroxy-eremophil-7(11)-en-12,8alpha-olide

1beta,10alpha-epoxy-4-methoxyglechomanolide

(-)-Oxoepijuvabione

cumanin

MCULE-9655064557

C16H24O4

8-hydroxy-1-methoxy-gamma-butyrolactone dendrolasin

oblongolide W2

2,2-Dimethyl-7-hydroxy-5-(2-phenylethyl)-2H-1-benzopyran

4-(2-hydroxy-3-isopropylaminopropoxy)phenylglyoxylic acid amide

(8betaH)-form-13,14,15,16-Tetranor-1(10)-halimene-12,19-dioic acid|13,14,15,16-tetranorfriedo-1(10)-labden-12,19-dioic acid

Epilaccilahsholinsaeuremethylester|Methyl-epilaccilakscholinat

Equilenin methyl ether

Me ether-Humulinic acid D

3beta-acetoxypolygonal

4-O-Methylhonokiol

2-(4-METHOXY-3-PROP-2-ENYL-PHENYL)-4-PROP-2-ENYL-PHENOL

4-O-Methylhonokiol is a natural product found in Magnolia virginiana, Magnolia obovata, and Magnolia officinalis with data available. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research. 4-O-Methyl honokiol is a natural neolignan isolated from Magnolia officinalis, acts as a PPARγ agonist, and inhibtis NF-κB activity, used for cancer and inflammation research.

2-Methylbutyric acid 2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl ester

1,2,3,4-Tetrahydro-9-methoxyellipticine

hebelophyllene F

8-ethoxy-9-isobutyryloxy-thymol

2,5-dihydroxy-3-methyl-6-nonylcyclohexa-2,5-diene-1,4-dione

phytuberin

3,8,8-Trimethyl-4,5,10,11-tetrahydrophenanthro[10,1-bc]pyran-9(8H)-one

4-O-methylmagnolol

Tagetolone

CHEMBL90397

(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxyapparicine

3,5-Dihydroxy-2-(gamma,gamma-dimethylallyl)-stilben|trans-3,5-dimethoxy-2-prenylstilbene

curcolide

1,1?-(E)-propenyl-4-methoxy-3,4?-oxyneolignan|ottomentosa

(1R,4R,5R,8S,10R)-1-hydroxy-4-methoxyeudesm-7(11)-en-12,8-olide

5alpha-hydroxy-13-methoxy-7alphaH,11alphaH-eudesm-4(15)-en-12,8beta-lactone

(2S,3S)-5-allyl-2,3-dihydro-2-(4-methoxyphenyl)-3-methylbenzofuran|4?-O-methylmiliumollin

Cytosporone U

(+)-(7S)-7-O-methylsydonic acid|(+)-7-O-methylsydonic acid

aspterric acid methyl ester

(11E,13Z)-1,7-dioxacyclooctadeca-11,13-diene-2,8-dione|mesuadione

6-(2-hydroxyethyl)-2-hydroxymethyl-7-methoxymethyl-2,5-dimethyl-indan-4-ol|russujaponol I

3,8-dihydroxy-heptadeca-9E,15E-dien-11,13-diyne-1-oic acid methyl ester

1beta,8alpha-dihydroxyeudesma-3,5-dien-12-carboxylic acid methyl ester|jatrophaeudesmene A

10beta-hydroxy-8beta-methoxyeremophilenolide|8-Me ether-8,10-Dihydroxy-7(11)-eremophilen-12,8-olide

Epchrosine

18-oxo-aylthonic acid

Gloeophyllol D

Me ester-5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid

Tetra-nor-labda-19-oic acid-12,8beta-olide

2-<<1R-(1alpha,4alpha,5alpha)>-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl>propensaeure-methylester|2-[(1R-(1alpha,4alpha,5alpha))-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl]propensaeure-methylester

CHEMBL4072624

Cyclocarbamide A

TORQUATONE

1alpha,6alpha-dihydroxyisocostic acid methyl ester

(+)-conocarpan methyl ether|(2S,3S)-2,3-dihydro-2-(4-methoxyphenyl)-3-methyl-5-[1(E)-propenyl]benzofuran

Ac-(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol

4-[2-[2-Methoxy-5-(2-propenyl)phenyl]-2-propenyl]phenol

12alpha-hxdroxyoblongolide S|oblongolide U

comosone III

oblongolide X

2-deoxy-4alpha-hydroxyoblongolide X

6-O-methylhonokiol

7-(2,3-Dimethoxyphenyl)heptansaeuremethylester|methyl 7-(2,3-dimethoxyphenyl)heptanoate

8alpha-hxdroxyoblongolide T|oblongolide V

Me ester-4,5-Dioxo-4,5-seco-11(13)-eudesmen-12-oic acid|methyl-4,5-dioxo-seco-isocostoate

(4aR,5R,8aR,9aS)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-9a-methoxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha(H)-8beta-methoxyeudesm-7(11)-en-8,12-olide

(4aR*,5R*,8aR*,9aS*)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-9a-methoxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha(H)-8beta-methoxyeudesm-7(11)-en-8,12-olide

Lisofylline

3,7-dihydro-1-(5-hydroxyhexyl)-3,7-dimethyl-1H-purine-2,6-dione

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D011838 - Radiation-Sensitizing Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

Dehydromiltirone

3,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-

Dehydromiltirone is a natural product found in Salvia miltiorrhiza, Salvia miltiorrhiza var. miltiorrhiza, and Salvia prionitis with data available.

7-benzyloxygramine

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.741

Xylometazoline HCl

Xylometazoline hydrochloride

Xylometazoline hydrochloride is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline hydrochloride can constrict nasal blood vessels and increase nasal airflow. Xylometazoline hydrochloride can be used in nose stuffiness and runny nose research[1][2].

1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone

"NCGC00160343-01!1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone"

(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one

NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one

4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one

NCGC00381408-01!4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one

Feruloylcholine

[C15H22NO4]+ (280.1549)

C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one

NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one

C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid

NCGC00381353-01_C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid

(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one

MMV021375

(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]

NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based on: CCMSLIB00000845889]

(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]

NCGC00180705-02!(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one [IIN-based: Match]

Decumbenone A

(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_major

(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_minor

2-(3-(8-Hydroxyoctyl)phenoxy)acetic acid

2-(8-Hydroxyoctyl)-6-methoxybenzoic acid

8-Hydroxymianserin

Tyr Val

Val Tyr

(R)-Lisofylline

3,7-dihydro-1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-1H-purine-2,6-dione

A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus.

(S)-Lisofylline

3,7-dihydro-1-[5S-hydroxyhexyl]-3,7-dimethyl-1H-purine-2,6-dione

A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.

Tyr-val

2-(2-amino-3-methylbutanamido)-3-(4-hydroxyphenyl)propanoic acid

A dipeptide formed from L-tyrosine and L-valine residues.

Val-Tyr

2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

A dipeptide formed from L-valine and L-tyrosine residues. H-Val-Tyr-OH is an endogenous metabolite.

Prehumulinic acid

3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(4-methylpentanoyl)cyclopent-2-en-1-one

Feruloylcholine

(2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium

C15H22NO4 (280.1549)

7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one

(4E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one

Feruloyl-2-hydroxyputrescine

(2E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

6-Hydroxy-8-methoxy-7(11)-eremophilen-12,8-olide

4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide

6-hydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate

methyl 2-(7-hydroxy-8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propanoate

FA 16:4;O2

5-Acetoxy-tetradeca-2,4,6-trienoic acid, (E,E,E)-

Albanitrile C

17-Hydroxyoctadeca-6,8,10-triynedinitrile

1,4-cyclohexanedimethyl 1,4-dimethacrylate

ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate

C13H21BN2O4 (280.1594)

4,4-dimethoxy-3,3-spirobi[1,2-dihydroindene]

4-(4-Benzyl-1-piperazinyl)benzaldehyde

2-(1H-indol-3-yl)ethyl-[(3-methoxyphenyl)methyl]azanium

N6-Cbz-L-Lysine

3-(2-AMINOETHYL)-6-BENZYLOXY-1-METHYLINDOLE

dimethyl 1,3-adamantanediacetate

2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]acetic acid

C15H24O3Si (280.1495)

2-METHYL-5-(6-PHENYLPYRIDAZIN-3-YL)OCTAHYDROPYRROLO[3,4-C]PYRROLE

1-(4-Methoxy-3-(3-Methoxypropoxy)Phenyl)-3-Methylbutan-1-One

1-BOC-3-[(2-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE

1-BOC-3-[(4-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE

Cbz-D-Lysine

1-(1,3-DIOXOLAN-2-YLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE

C13H21BN2O4 (280.1594)

3-(3-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

4-biphenylboronic acid, pinacol ester

C18H21BO2 (280.1635)

Z-Lys-OH

N,N-Dipropyltryptaminehydrochloride

Tyrosyl-Valine

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid

N-[(5-Amino-1,3,3-Trimethylcyclohexyl)Methyl]-beta-Alanine Monopotassium Salt

C13H25KN2O2 (280.1553)

3-(3-FLUORO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

1-BOC-3-[(3-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE

5-benzyloxygramine

poly-epsilon-cbz-l-lysine

2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETIC ACID

C14H21BO5 (280.1482)

METHYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)PROPANOATE

C13H21BN2O4 (280.1594)

5-METHYL-2-NITROANILINE

(2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETICACID

[2-hydroxyimino-2-(3-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester

(2-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)PHENYL)BORONIC ACID

C14H25BO3Si (280.1666)

BIS-N,N-(TRIMETHYLSILYL)-N-PHENYLUREA

C13H24N2OSi2 (280.1427)

Boc-4-amino-D-phenylalanine

Boc-4-Amino-L-phenylalanine

Boc-(R)-3-Amino-4-(3-pyridyl)-butyric acid

3-(2-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3-(4-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

[4-(2-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate

[2-hydroxyimino-2-(4-methoxy-phenyl)-ethyl]-carbamic acid tert-butyl ester

METHYL 3-(6-AMINOPYRIDIN-2-YL)-2-(TERT-BUTOXYCARBONYL)PROPANOATE

Biphenyl-2-boronic acid pinacol ester

C18H21BO2 (280.1635)

Boc-(S)-3-Amino-4-(3-pyridyl)-butyric acid

Boc-(S)-3-Amino-4-(4-pyridyl)-butyric acid

(R)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE

tert-butyl 3-(4-fluorophenyl)piperazine-1-carboxylate

TERT-BUTYL 4-HYDROXY-2-OXO-5,6,8,9-TETRAHYDRO-1H-PYRIDO[2,3-D]AZEPINE-7(2H)-CARBOXYLATE

(S)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE

tert-butyl 4-(6-fluoropyridin-3-yl)piperidine-1-carboxylate

2-[(TERT-BUTOXY)CARBONYLAMINO]-N-(PHENYLMETHOXY)ACETAMIDE

h-phe(4-nh-boc)-oh

6-(Diethylphosphono)-hexanoic acid ethyl ester

C12H25O5P (280.144)

2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridin-3-ylpropanoic acid

2,2-diphenyl-1-piperazin-1-yl-ethanone

Ciclosidomine

C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate

2,2-Diphenyl-2-[(3S)-3-pyrrolidinyl]acetamide

ethyl 2-(5-{[(tert-butoxy)carbonyl]amino}pyridin-2-yl)acetate

(4-benzylpiperidin-1-yl)-pyridin-4-ylmethanone

tert-butyl 4-(4-fluorophenyl)piperazine-1-carboxylate

hexanedioic acid,3-(3-hydroxypropoxy)propan-1-ol

C12H24O7 (280.1522)

2-([1,1-Biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H21BO2 (280.1635)

4-n-decylbenzoyl chloride

C17H25ClO (280.1594)

4-[p-(benzyloxy)phenyl]cyclohexanone

Boc-(R)-3-Amino-4-(4-pyridyl)-butyric acid

((E)-4-Phenyl-but-3-enyl)-piperidin-3-ylMethyl-aMine hydrochloride

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

4-Butyl-4-hydroxychalcone

3-Chloro-1-(4-octylphenyl)-1-propanone

C17H25ClO (280.1594)

1-BENZYL 2-TERT-BUTYL 1-METHYLHYDRAZINE-1,2-DICARBOXYLATE

4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenol

tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate

octahydro-2,6-dimethyl-3,8:4,7-dimethano-2,6-naphthyridine-4,8-dicarboxylic acid

2-(4-benzylpiperazino)benzaldehyde

TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE

3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile

1H-Indole-3-methanamine,N,N-dimethyl-6-(phenylmethoxy)-

H-D-LYS(Z)-OH

2-Methyl-2-propanyl 4-(4-formyl-1H-1,2,3-triazol-1-yl)-1-piperidi necarboxylate

Deuterated s-lisofylline

2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline

Radulannin A

1-(3-Chlorophenyl)-4-hexylpiperazine

ER-27319 free base

2,2-Dimethyl-3,6,9,12,15-pentaoxa-2-silahexadecane

C12H28O5Si (280.1706)

2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine

1,7-Diphenyl-5-hydroxy-1-heptene-3-one

(+)-(7S)-7-O-methylsydonic acid

A sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.

1h-Pyrazolo[4,3-b]pyridin-7-amine,5-methyl-n-(2-methylpropyl)-3-phenyl-

Disilane, pentamethyl[4-(trimethylsilyl)phenyl]-

C14H28Si3 (280.1499)

Xylometazoline hydrochloride

C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Xylometazoline hydrochloride is an α-adrenergic receptor agonist (Ki=0.05-1.7 μM). Xylometazoline hydrochloride can constrict nasal blood vessels and increase nasal airflow. Xylometazoline hydrochloride can be used in nose stuffiness and runny nose research[1][2].

1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-

2-[(2-Amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid

(5S)-1-(3,4-dihydroxyphenyl)-5-hydroxydecan-3-one

a Jasmonate-alanine

(-)-jasmonoyl-L-alanine

(+)-7-epi-jasmonoyl-L-alanine

Feruloylcholine

C15H22NO4+ (280.1549)

1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one

A diarylheptanoid that is hept-6-en-3-one substituted by a 4-hydroxyphenyl group at position 1 and a phenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.

5-Dehydrofumagillol

1-Phenyl-2-(2-pyridin-3-ylpiperidin-1-yl)ethanone

2-[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid

4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one

3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide

N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

C15H16N6 (280.1436)

dainate A

(1R,2R,3Z,7S,11E,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

(E)-N-(4-amino-3-hydroxybutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxamide

2,3-Dimethyl-1-(methyldiphenylsilyl)-2-butene

C19H24Si (280.1647)

Methyl (3R,6S)-7-benzyloxy-3-hydroxy-6-methylheptanoate

(1S,2S,3Z,7R,11Z,13R,15R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide

dainate A(1-)

C15H22NO4 (280.1549)

A dicarboxylic acid anion that is conjugate base of dainic acid A, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.

7-Acetoxy-2E,4E,6E-tetradecatrienoic acid

5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid

1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

A dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.

FAHFA 8:1/O-8:2

FAHFA 8:2/O-8:1

1-[(1as,4s,4as,5s,6s,8s,8as)-6-acetyl-8-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl]ethanone

(2r)-2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one

methyl 2-[(2r,4ar,8ar)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]prop-2-enoate

methyl 2-{2-[2-hydroxy-3-(oxiran-2-yl)but-3-en-1-yl]-3,3-dimethylcyclobutyl}prop-2-enoate

(6r,7ar)-6-heptyl-3-methoxy-4-methylidene-5h,6h,7ah-furo[2,3-b]pyran-2-one

methyl 2-[(2r,8ar)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]prop-2-enoate

methyl 2-(3-acetyl-3a-hydroxy-7a-methyl-hexahydro-1h-inden-5-yl)prop-2-enoate

methyl (4r)-4-[(2s)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohex-1-ene-1-carboxylate

methyl 2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]prop-2-enoate

3-hydroxy-4-[(2r)-2-methoxy-6-methylheptan-2-yl]benzoic acid

chiricanine a

2-[(4s,6s)-6-ethyl-7-hydroxy-4-methylhept-2-en-2-yl]-6-methoxypyran-4-one

(2r,3as,5r)-3a-methoxy-2-(2-methoxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one

4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one

5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one

4-[(2s,4r,6s)-4-hydroxy-6-pentyloxan-2-yl]benzene-1,2-diol

(4ar,5s,8r,8ar,9ar)-8a-hydroxy-8-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one

3-methyl-8-(2-phenylethyl)-2,5-dihydro-1-benzoxepin-6-ol

(4ar,5s,8as,9as)-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one

4'-methoxy-3',5-bis[(1e)-prop-1-en-1-yl]-[1,1'-biphenyl]-2-ol

(1r,4ar,6as,8r,10ar,10bs)-1-hydroxy-1-(hydroxymethyl)-8,10b-dimethyl-4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-2-one

4-(hydroxymethyl)-3-methoxy-8,12-dimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-4,11-dien-6-ol

5-(carboxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

methyl 2-[(1r,4r,4ar,6s,8ar)-4,6-dihydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate

2-methoxy-3,5-dimethyl-6-(5-methyl-6-oxoheptyl)pyran-4-one

methyl 2-(1,3-dihydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl)prop-2-enoate

2-methoxy-3,5-dimethyl-6-[(5r)-5-methyl-6-oxoheptyl]pyran-4-one

(2z,4e,6z)-8-(acetyloxy)-3,7-dimethylocta-2,4,6-trien-1-yl 2-methylpropanoate

11-Dodecenyl trifluoroacetate

dodec-11-enyl 2,2,2-trifluoroacetate; dodec-11-enyl 2,2,2-trifluoroethanoate; 11-Dodecen-1-ol trifluoroacetate; 2,2,2-trifluoroacetic acid dodec-11-enyl ester

C14H23F3O2 (280.165)

{"Ingredient_id": "HBIN000415","Ingredient_name": "11-Dodecenyl trifluoroacetate","Alias": "dodec-11-enyl 2,2,2-trifluoroacetate; dodec-11-enyl 2,2,2-trifluoroethanoate; 11-Dodecen-1-ol trifluoroacetate; 2,2,2-trifluoroacetic acid dodec-11-enyl ester","Ingredient_formula": "C14H23F3O2","Ingredient_Smile": "C=CCCCCCCCCCCOC(=O)C(F)(F)F","Ingredient_weight": "280.33 g/mol","OB_score": "19.76059422","CAS_id": "NA","SymMap_id": "SMIT12521","TCMID_id": "NA","TCMSP_id": "MOL011650","TCM_ID_id": "NA","PubChem_id": "543399","DrugBank_id": "NA"}

3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3β,6α,8β,10β)-form,6-me ether

{"Ingredient_id": "HBIN007715","Ingredient_name": "3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3\u03b2,6\u03b1,8\u03b2,10\u03b2)-form,6-me ether","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "NA","Ingredient_weight": "280.36","OB_score": "NA","CAS_id": "171595-26-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8242","PubChem_id": "NA","DrugBank_id": "NA"}

3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3β,6β,8α,10β)-form,6-me ether

{"Ingredient_id": "HBIN007717","Ingredient_name": "3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3\u03b2,6\u03b2,8\u03b1,10\u03b2)-form,6-me ether","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "NA","Ingredient_weight": "280.36","OB_score": "NA","CAS_id": "171595-27-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8240","PubChem_id": "NA","DrugBank_id": "NA"}

4-ethenyl-9,10-dihydro-7-methoxy-1,8-dimethyl-2-phenanthrenol

{"Ingredient_id": "HBIN010372","Ingredient_name": "4-ethenyl-9,10-dihydro-7-methoxy-1,8-dimethyl-2-phenanthrenol","Alias": "NA","Ingredient_formula": "C19H20O2","Ingredient_Smile": "NA","Ingredient_weight": "280.366","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7844","PubChem_id": "NA","DrugBank_id": "NA"}

[5]-gingerol

{"Ingredient_id": "HBIN011550","Ingredient_name": "[5]-gingerol","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "CCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O","Ingredient_weight": "280.36 g/mol","OB_score": "8.105783503","CAS_id": "NA","SymMap_id": "SMIT07794","TCMID_id": "NA","TCMSP_id": "MOL006132","TCM_ID_id": "19289","PubChem_id": "15839352","DrugBank_id": "NA"}

6,8-dihydroxy-3,11(13)-eudesmadien-12-oic acid; (6α,8α)-form,me ester

{"Ingredient_id": "HBIN012120","Ingredient_name": "6,8-dihydroxy-3,11(13)-eudesmadien-12-oic acid; (6\u03b1,8\u03b1)-form,me ester","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "NA","Ingredient_weight": "280.36","OB_score": "NA","CAS_id": "187523-43-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7605","PubChem_id": "NA","DrugBank_id": "NA"}

6'-O- methylhonokiol

6'-o-methylhonokiol

{"Ingredient_id": "HBIN012696","Ingredient_name": "6'-O- methylhonokiol","Alias": "6'-o-methylhonokiol","Ingredient_formula": "C19H20O2","Ingredient_Smile": "COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)O)CC=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36325;14483","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2r,4r,4ar,6as,8r,10ar,10bs)-4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one

(1r,4as,6ar,8s,10as,10br)-1-hydroxy-1-(hydroxymethyl)-8,10b-dimethyl-4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-2-one

(2s,4s,4as,6ar,8s,10as,10br)-4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one