Exact Mass: 578.2120318
Exact Mass Matches: 578.2120318
Found 500 metabolites which its exact mass value is equals to given mass value 578.2120318
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pheophorbin a5, dipotassium salt
8-Acetoxypinoresinol 4-glucoside
8-Acetoxypinoresinol 4-glucoside is found in pomes. 8-Acetoxypinoresinol 4-glucoside is a constituent of bark of Olea europaea (olive). Constituent of bark of Olea europaea (olive). 8-Acetoxypinoresinol 4-glucoside is found in pomes.
Netupitant
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].
gosspyl acetate
R-(-)-Gossypol Acetic Acid is the orally bioavailable solvate of the R-(-) enantiomer of gossypol and acetic acid with potential antineoplastic activity. As a BH3 mimetic, R-(-)-gossypol binds to the hydrophobic surface binding groove BH3 of the anti-apoptotic proteins Bcl-2 and Bcl-xL, blocking their heterodimerization with pro-apoptotic members of the Bcl-2 family of proteins such as Bad, Bid, and Bim; this may result in the inhibition of tumor cell proliferation and the induction of tumor cell apoptosis. Racemic gossypol is a polyphenolic compound isolated from cottonseed. Gossypol acetic acid ((±)-Gossypol-acetic acid) binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively. Gossypol acetic acid ((±)-Gossypol-acetic acid) binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.
(2RS)-2-(3-benzoylphenyl)propionyl beta-D-glucopyranosyl-beta-D-glucopyranoside
(-)-isogaudichaudiic acid B|isogaudichaudiic acid B
(R)-3-(2-((R)-2-((R)-3-(2,4-dihydroxy-6-((R)-2-hydroxypropyl)benzoyloxy)butanoyloxy)propyl)-4,6-dihydroxybenzoyloxy)butanoic acid|15G256pi
(1S,4aS,6R,9S,9aS)-7-{2-[(3R)-2,3-dihydro-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl}-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,8,9,9a-octahydro-6,9-epoxypyrano[3,4-d]azepine-4-carboxylic acid methyl ester|anthocephalusine A
methyl 1alpha-acetoxy-2beta,3alpha,6,8alpha,14beta-pentahydroxy-[4.2.110,30.11,4]-tricyclomeliac-7-oate
benzyl 4-O-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside|salsaside B
Desoxypodophyllinsaeure-1beta-D-glucopyranosyl-ester; Lignan J|Lignan J
1S-acetyloxy-4S,6R-dihydroxy-9S-benzoyloxy-13-cinnamoyloxy-beta-dihydroagarofuran
(aR)-3,3-Dimethyl-7,7,9,9-tetramethoxy-3,3,4,4-tetrahydro-5,6-bi[1H-naphtho[2,3-c]pyran]-4,4,10,10-tetraol
1alpha,6beta-diacetoxy-9beta,15-dibenzoyloxy-beta-dihydroagarofuran|fokienagarofuran B
3-acetyl-(-)-epicatechin 7-O-[6-(2-methylbutanoyloxy)]-beta-D-glucopyranoside
phenethyl alcohol 8-O-beta-D-glucopyranosyl-(1->2)-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
(1R,2S,3S,4S,5R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-beta-agarofuran
kansanoside A|phenylethyl-beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->6)]-beta-D-galactopyranoside
(1S,4S,5S,6R,7S,8S,9R,10S)-1-acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-beta-agarofuran
7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyldemethoxymatteucinol|miconioside C
3-O-methyl-21,23-dihydro-23-hydroxy-21-oxonomilinic acid
(-)-11,12-dihydro-12-hydroxymorellic acid|(5R,7S,10aS,27S)-11,12-dihydro-12-hydroxymorellic acid|11,12-dihydro-12-hydroxymorellic acid
benzyl 6-O-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside|salsaside A
Elymoclavine-O-beta-fructofuranosyl-(2->1)-O-beta-D-ructofuranoside
Phellophyll a
gosspyl acetate
R-(-)-Gossypol Acetic Acid is the orally bioavailable solvate of the R-(-) enantiomer of gossypol and acetic acid with potential antineoplastic activity. As a BH3 mimetic, R-(-)-gossypol binds to the hydrophobic surface binding groove BH3 of the anti-apoptotic proteins Bcl-2 and Bcl-xL, blocking their heterodimerization with pro-apoptotic members of the Bcl-2 family of proteins such as Bad, Bid, and Bim; this may result in the inhibition of tumor cell proliferation and the induction of tumor cell apoptosis. Racemic gossypol is a polyphenolic compound isolated from cottonseed. Gossypol acetic acid ((±)-Gossypol-acetic acid) binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively. Gossypol acetic acid ((±)-Gossypol-acetic acid) binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
C29H38O12_Methyl 2-(hexopyranosyloxy)-4-({6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
C28H34O13_beta-D-Glucopyranoside, 4-[(1R,3aR,4S,6aS)-6a-(acetyloxy)tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based on: CCMSLIB00000849079]
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol [IIN-based: Match]
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol_major
(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol_67.3\\%
Ala Tyr Tyr Tyr
Cys Asp Arg Trp
Cys Asp Trp Arg
Cys Phe Phe Tyr
Cys Phe Tyr Phe
Cys Met Tyr Tyr
C26H34N4O7S2 (578.1868814000001)
Cys Arg Asp Trp
Cys Arg Trp Asp
Cys Trp Asp Arg
Cys Trp Arg Asp
Cys Tyr Phe Phe
Cys Tyr Met Tyr
C26H34N4O7S2 (578.1868814000001)
Cys Tyr Tyr Met
C26H34N4O7S2 (578.1868814000001)
Asp Cys Arg Trp
Asp Cys Trp Arg
Asp Lys Met Trp
C26H38N6O7S (578.2522558000001)
Asp Lys Trp Met
C26H38N6O7S (578.2522558000001)
Asp Met Lys Trp
C26H38N6O7S (578.2522558000001)
Asp Met Gln Trp
C25H34N6O8S (578.2158724000001)
Asp Met Trp Lys
C26H38N6O7S (578.2522558000001)
Asp Met Trp Gln
C25H34N6O8S (578.2158724000001)
Asp Gln Met Trp
C25H34N6O8S (578.2158724000001)
Asp Gln Trp Met
C25H34N6O8S (578.2158724000001)
Asp Arg Cys Trp
Asp Arg Trp Cys
Asp Trp Cys Arg
Asp Trp Lys Met
C26H38N6O7S (578.2522558000001)
Asp Trp Met Lys
C26H38N6O7S (578.2522558000001)
Asp Trp Met Gln
C25H34N6O8S (578.2158724000001)
Asp Trp Gln Met
C25H34N6O8S (578.2158724000001)
Asp Trp Arg Cys
Glu Phe Phe His
C29H34N6O7 (578.2488854000001)
Glu Phe His Phe
C29H34N6O7 (578.2488854000001)
Glu His Phe Phe
C29H34N6O7 (578.2488854000001)
Glu His Met Tyr
C25H34N6O8S (578.2158724000001)
Glu His Tyr Met
C25H34N6O8S (578.2158724000001)
Glu Met His Tyr
C25H34N6O8S (578.2158724000001)
Glu Met Asn Trp
C25H34N6O8S (578.2158724000001)
Glu Met Trp Asn
C25H34N6O8S (578.2158724000001)
Glu Met Tyr His
C25H34N6O8S (578.2158724000001)
Glu Asn Met Trp
C25H34N6O8S (578.2158724000001)
Glu Asn Trp Met
C25H34N6O8S (578.2158724000001)
Glu Trp Met Asn
C25H34N6O8S (578.2158724000001)
Glu Trp Asn Met
C25H34N6O8S (578.2158724000001)
Glu Tyr His Met
C25H34N6O8S (578.2158724000001)
Glu Tyr Met His
C25H34N6O8S (578.2158724000001)
Phe Cys Phe Tyr
Phe Cys Tyr Phe
Phe Glu Phe His
C29H34N6O7 (578.2488854000001)
Phe Glu His Phe
C29H34N6O7 (578.2488854000001)
Phe Phe Cys Tyr
Phe Phe Glu His
C29H34N6O7 (578.2488854000001)
Phe Phe His Glu
C29H34N6O7 (578.2488854000001)
Phe Phe Tyr Cys
Phe His Glu Phe
C29H34N6O7 (578.2488854000001)
Phe His Phe Glu
C29H34N6O7 (578.2488854000001)
Phe Ser Tyr Tyr
Phe Tyr Cys Phe
Phe Tyr Phe Cys
Phe Tyr Ser Tyr
Phe Tyr Tyr Ser
Gly Met Trp Trp
Gly Trp Met Trp
Gly Trp Trp Met
His Glu Phe Phe
C29H34N6O7 (578.2488854000001)
His Glu Met Tyr
C25H34N6O8S (578.2158724000001)
His Glu Tyr Met
C25H34N6O8S (578.2158724000001)
His Phe Glu Phe
C29H34N6O7 (578.2488854000001)
His Phe Phe Glu
C29H34N6O7 (578.2488854000001)
His Met Glu Tyr
C25H34N6O8S (578.2158724000001)
His Met Tyr Glu
C25H34N6O8S (578.2158724000001)
His Pro Tyr Tyr
C29H34N6O7 (578.2488854000001)
His Tyr Glu Met
C25H34N6O8S (578.2158724000001)
His Tyr Met Glu
C25H34N6O8S (578.2158724000001)
His Tyr Pro Tyr
C29H34N6O7 (578.2488854000001)
His Tyr Tyr Pro
C29H34N6O7 (578.2488854000001)
Lys Asp Met Trp
C26H38N6O7S (578.2522558000001)
Lys Asp Trp Met
C26H38N6O7S (578.2522558000001)
Lys Met Asp Trp
C26H38N6O7S (578.2522558000001)
Lys Met Trp Asp
C26H38N6O7S (578.2522558000001)
Lys Trp Asp Met
C26H38N6O7S (578.2522558000001)
Lys Trp Met Asp
C26H38N6O7S (578.2522558000001)
Met Cys Tyr Tyr
C26H34N4O7S2 (578.1868814000001)
Met Asp Lys Trp
C26H38N6O7S (578.2522558000001)
Met Asp Gln Trp
C25H34N6O8S (578.2158724000001)
Met Asp Trp Lys
C26H38N6O7S (578.2522558000001)
Met Asp Trp Gln
C25H34N6O8S (578.2158724000001)
Met Glu His Tyr
C25H34N6O8S (578.2158724000001)
Met Glu Asn Trp
C25H34N6O8S (578.2158724000001)
Met Glu Trp Asn
C25H34N6O8S (578.2158724000001)
Met Glu Tyr His
C25H34N6O8S (578.2158724000001)
Met Gly Trp Trp
Met His Glu Tyr
C25H34N6O8S (578.2158724000001)
Met His Tyr Glu
C25H34N6O8S (578.2158724000001)
Met Lys Asp Trp
C26H38N6O7S (578.2522558000001)
Met Lys Trp Asp
C26H38N6O7S (578.2522558000001)
Met Asn Glu Trp
C25H34N6O8S (578.2158724000001)
Met Asn Trp Glu
C25H34N6O8S (578.2158724000001)
Met Gln Asp Trp
C25H34N6O8S (578.2158724000001)
Met Gln Trp Asp
C25H34N6O8S (578.2158724000001)
Met Trp Asp Lys
C26H38N6O7S (578.2522558000001)
Met Trp Asp Gln
C25H34N6O8S (578.2158724000001)
Met Trp Glu Asn
C25H34N6O8S (578.2158724000001)
Met Trp Gly Trp
Met Trp Lys Asp
C26H38N6O7S (578.2522558000001)
Met Trp Asn Glu
C25H34N6O8S (578.2158724000001)
Met Trp Gln Asp
C25H34N6O8S (578.2158724000001)
Met Trp Trp Gly
Met Tyr Cys Tyr
C26H34N4O7S2 (578.1868814000001)
Met Tyr Glu His
C25H34N6O8S (578.2158724000001)
Met Tyr His Glu
C25H34N6O8S (578.2158724000001)
Met Tyr Tyr Cys
C26H34N4O7S2 (578.1868814000001)
Asn Glu Met Trp
C25H34N6O8S (578.2158724000001)
Asn Glu Trp Met
C25H34N6O8S (578.2158724000001)
Asn Met Glu Trp
C25H34N6O8S (578.2158724000001)
Asn Met Trp Glu
C25H34N6O8S (578.2158724000001)
Asn Pro Trp Tyr
C29H34N6O7 (578.2488854000001)
Asn Pro Tyr Trp
C29H34N6O7 (578.2488854000001)
Asn Trp Glu Met
C25H34N6O8S (578.2158724000001)
Asn Trp Met Glu
C25H34N6O8S (578.2158724000001)
Asn Trp Pro Tyr
C29H34N6O7 (578.2488854000001)
Asn Trp Tyr Pro
C29H34N6O7 (578.2488854000001)
Asn Tyr Pro Trp
C29H34N6O7 (578.2488854000001)
Asn Tyr Trp Pro
C29H34N6O7 (578.2488854000001)
Pro His Tyr Tyr
C29H34N6O7 (578.2488854000001)
Pro Asn Trp Tyr
C29H34N6O7 (578.2488854000001)
Pro Asn Tyr Trp
C29H34N6O7 (578.2488854000001)
Pro Trp Asn Tyr
C29H34N6O7 (578.2488854000001)
Pro Trp Tyr Asn
C29H34N6O7 (578.2488854000001)
Pro Tyr His Tyr
C29H34N6O7 (578.2488854000001)
Pro Tyr Asn Trp
C29H34N6O7 (578.2488854000001)
Pro Tyr Trp Asn
C29H34N6O7 (578.2488854000001)
Pro Tyr Tyr His
C29H34N6O7 (578.2488854000001)
Gln Asp Met Trp
C25H34N6O8S (578.2158724000001)
Gln Asp Trp Met
C25H34N6O8S (578.2158724000001)
Gln Met Asp Trp
C25H34N6O8S (578.2158724000001)
Gln Met Trp Asp
C25H34N6O8S (578.2158724000001)
Gln Trp Asp Met
C25H34N6O8S (578.2158724000001)
Gln Trp Met Asp
C25H34N6O8S (578.2158724000001)
Arg Cys Asp Trp
Arg Cys Trp Asp
Arg Asp Cys Trp
Arg Asp Trp Cys
Arg Trp Cys Asp
Arg Trp Asp Cys
Ser Phe Tyr Tyr
Ser Thr Trp Trp
C29H34N6O7 (578.2488854000001)
Ser Trp Thr Trp
C29H34N6O7 (578.2488854000001)
Ser Trp Trp Thr
C29H34N6O7 (578.2488854000001)
Ser Tyr Phe Tyr
Ser Tyr Tyr Phe
Thr Ser Trp Trp
C29H34N6O7 (578.2488854000001)
Thr Trp Ser Trp
C29H34N6O7 (578.2488854000001)
Thr Trp Trp Ser
C29H34N6O7 (578.2488854000001)
Trp Cys Asp Arg
Trp Cys Arg Asp
Trp Asp Cys Arg
Trp Asp Lys Met
C26H38N6O7S (578.2522558000001)
Trp Asp Met Lys
C26H38N6O7S (578.2522558000001)
Trp Asp Met Gln
C25H34N6O8S (578.2158724000001)
Trp Asp Gln Met
C25H34N6O8S (578.2158724000001)
Trp Asp Arg Cys
Trp Glu Met Asn
C25H34N6O8S (578.2158724000001)
Trp Glu Asn Met
C25H34N6O8S (578.2158724000001)
Trp Gly Met Trp
Trp Gly Trp Met
Trp Lys Asp Met
C26H38N6O7S (578.2522558000001)
Trp Lys Met Asp
C26H38N6O7S (578.2522558000001)
Trp Met Asp Lys
C26H38N6O7S (578.2522558000001)
Trp Met Asp Gln
C25H34N6O8S (578.2158724000001)
Trp Met Glu Asn
C25H34N6O8S (578.2158724000001)
Trp Met Gly Trp
Trp Met Lys Asp
C26H38N6O7S (578.2522558000001)
Trp Met Asn Glu
C25H34N6O8S (578.2158724000001)
Trp Met Gln Asp
C25H34N6O8S (578.2158724000001)
Trp Met Trp Gly
Trp Asn Glu Met
C25H34N6O8S (578.2158724000001)
Trp Asn Met Glu
C25H34N6O8S (578.2158724000001)
Trp Asn Pro Tyr
C29H34N6O7 (578.2488854000001)
Trp Asn Tyr Pro
C29H34N6O7 (578.2488854000001)
Trp Pro Asn Tyr
C29H34N6O7 (578.2488854000001)
Trp Pro Tyr Asn
C29H34N6O7 (578.2488854000001)
Trp Gln Asp Met
C25H34N6O8S (578.2158724000001)
Trp Gln Met Asp
C25H34N6O8S (578.2158724000001)
Trp Arg Cys Asp
Trp Arg Asp Cys
Trp Ser Thr Trp
C29H34N6O7 (578.2488854000001)
Trp Ser Trp Thr
C29H34N6O7 (578.2488854000001)
Trp Thr Ser Trp
C29H34N6O7 (578.2488854000001)
Trp Thr Trp Ser
C29H34N6O7 (578.2488854000001)
Trp Trp Gly Met
Trp Trp Met Gly
Trp Trp Ser Thr
C29H34N6O7 (578.2488854000001)
Trp Trp Thr Ser
C29H34N6O7 (578.2488854000001)
Trp Tyr Asn Pro
C29H34N6O7 (578.2488854000001)
Trp Tyr Pro Asn
C29H34N6O7 (578.2488854000001)
Tyr Ala Tyr Tyr
Tyr Cys Phe Phe
Tyr Cys Met Tyr
C26H34N4O7S2 (578.1868814000001)
Tyr Cys Tyr Met
C26H34N4O7S2 (578.1868814000001)
Tyr Glu His Met
C25H34N6O8S (578.2158724000001)
Tyr Glu Met His
C25H34N6O8S (578.2158724000001)
Tyr Phe Cys Phe
Tyr Phe Phe Cys
Tyr Phe Ser Tyr
Tyr Phe Tyr Ser
Tyr His Glu Met
C25H34N6O8S (578.2158724000001)
Tyr His Met Glu
C25H34N6O8S (578.2158724000001)
Tyr His Pro Tyr
C29H34N6O7 (578.2488854000001)
Tyr His Tyr Pro
C29H34N6O7 (578.2488854000001)
Tyr Met Cys Tyr
C26H34N4O7S2 (578.1868814000001)
Tyr Met Glu His
C25H34N6O8S (578.2158724000001)
Tyr Met His Glu
C25H34N6O8S (578.2158724000001)
Tyr Met Tyr Cys
C26H34N4O7S2 (578.1868814000001)
Tyr Asn Pro Trp
C29H34N6O7 (578.2488854000001)
Tyr Asn Trp Pro
C29H34N6O7 (578.2488854000001)
Tyr Pro His Tyr
C29H34N6O7 (578.2488854000001)
Tyr Pro Asn Trp
C29H34N6O7 (578.2488854000001)
Tyr Pro Trp Asn
C29H34N6O7 (578.2488854000001)
Tyr Pro Tyr His
C29H34N6O7 (578.2488854000001)
Tyr Ser Phe Tyr
Tyr Ser Tyr Phe
Tyr Trp Asn Pro
C29H34N6O7 (578.2488854000001)
Tyr Trp Pro Asn
C29H34N6O7 (578.2488854000001)
Tyr Tyr Ala Tyr
Tyr Tyr Cys Met
C26H34N4O7S2 (578.1868814000001)
Tyr Tyr Phe Ser
Tyr Tyr His Pro
C29H34N6O7 (578.2488854000001)
Tyr Tyr Met Cys
C26H34N4O7S2 (578.1868814000001)
Tyr Tyr Pro His
C29H34N6O7 (578.2488854000001)
Tyr Tyr Ser Phe
Tyr Tyr Tyr Ala
8-Acetoxypinoresinol 4-glucoside
Methyl 2-(hexopyranosyloxy)-4-({6-[2-(4-hydroxyphenyl)ethyl]-4-oxotetrahydro-2H-pyran-2-yl}methyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
sufentanil citrate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
2-((e)-2-(2-methoxy-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3h-indolium perchlorate
Vardenafil HCl Trihydrate
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2-({6-[(3R)-3-{[3-(2-Cyanobenzyl)-1-methyl-2,6-dioxo-1,6-dihydro-4(2H)-pyrimidinyl]amino}-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)benzonitrile
Propanoic acid, 2,2-dimethyl-, 3-[(2S,5S)-tetrahydro-4-methylene-5-[(3R,5R)-5-methyl-3-[(methylsulfonyl)oxy]-6-[[(trifluoromethyl)sulfonyl]oxy]-6-hepten-1-yl]-2-furanyl]propyl ester
Netupitant
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].
Orbiculin A
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by an acetoxy groups at positions 1 and 2 and benzoyloxy groups at positions 6 and 9 (the 1beta,2beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.
Ananolignan K
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
2-[(2R,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
2-[(2S,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
2-[(2S,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[3-(7-amino-2-tert-butyl-4H-chromen-4-ylidene)prop-1-en-1-yl]-1-(5-carboxypentyl)-3,3-dimethyl-3H-indolium-5-sulfonate
3-[(17S,18R)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid
3-[(17S,18S)-8,13-bis(ethenyl)-17-hydroxy-3,7,12,17-tetramethyl-5-oxospiro[22,23-dihydroporphyrin-18,2-oxolane]-2-yl]propanoic acid
6-[(2E)-2-[(E)-3-(2-tert-butyl-7-iminochromen-4-yl)prop-2-enylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid
3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
Cyclo(Arg-Gly-Asp-D-Phe-Cys)
Cyclo(Arg-Gly-Asp-D-Phe-Cys) (Cyclo RGDfC), a cyclic RGD peptide which has high affinity to αvβ3, can disrupt cell integrin interactions. Cyclo(Arg-Gly-Asp-D-Phe-Cys) inhibits pluripotent marker expression in embryonic stem cells (ESCs) and the tumorigenic potential of mESCs in vivo. Cyclo(Arg-Gly-Asp-D-Phe-Cys) can be used in the research of tumors[1].
(1s,12r,13s,14s,15s)-12-(acetyloxy)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-15-yl benzoate
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
methyl 2-[17-(acetyloxy)-6-(furan-3-yl)-10,11,13,14-tetrahydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadecan-18-yl]-2-hydroxyacetate
8,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
1-{7-methoxy-5'-[(7-methoxy-2-oxochromen-8-yl)methyl]-4',4'-dimethylspiro[chromene-2,2'-[1,3]dioxolan]-8-yl}-3-methyl-2-oxobutyl acetate
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
methyl 5-ethenyl-4-({6-[2-(4-hydroxyphenyl)ethyl]-4-oxooxan-2-yl}methyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(8r,21s)-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1⁴,³⁰.1¹⁰,¹⁴.1¹⁵,¹⁹.0³,⁸.0²⁵,³³.0²⁸,³²]hexatriaconta-1(30),2,4(34),10,12,14(36),15(35),16,18,25(33),26,28(32)-dodecaene-13,26-diol
n-{[(1r,2s,10r,12r,13r,14s)-12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide
(1r,13r,14s,21s)-14,21-dihydroxy-17-[2-(4-methoxyphenyl)ethyl]-6-(2-phenylethyl)-7,12,16-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,5,8,10,15(20),17-hexaene-4,19-dione
4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(8r,21s)-13,27-dimethoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,25(33),26,28(32),30(34),35-dodecaen-26-ol
2-{[4-hydroxy-4-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
20,21,25-trimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,14,18(33),19,21,24(32),25,27(31),34-tridecaen-6-ol
[(2r,3s,4s,5r,6s)-6-{[(2r,3r)-3-(acetyloxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2h-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2r)-2-methylbutanoate
methyl 5-ethenyl-4-[6-hydroxy-8-(4-hydroxyphenyl)-4-oxooct-2-en-1-yl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
9,20-dimethoxy-15-methyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.2³,⁶.1⁸,¹².1¹⁴,¹⁸.0²⁴,³².0²⁷,³¹.0²²,³⁴]heptatriaconta-3,5,8(35),9,11,18,20,22(34),24,26,31,36-dodecaen-25-ol
1β,6α-diacetoxy-8β,9β-dibenzoyloxy-β-dihydro-agarofuran
{"Ingredient_id": "HBIN002373","Ingredient_name": "1\u03b2,6\u03b1-diacetoxy-8\u03b2,9\u03b2-dibenzoyloxy-\u03b2-dihydro-agarofuran","Alias": "NA","Ingredient_formula": "C33H38O9","Ingredient_Smile": "CC1CCC(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5291","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}