Exact Mass: 444.2445
Exact Mass Matches: 444.2445
Found 217 metabolites which its exact mass value is equals to given mass value 444.2445,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bufotalin
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Bufotalin is a steroid lactone. It is functionally related to a bufanolide. Bufotalin is a natural product found in Bufo gargarizans, Duttaphrynus melanostictus Bufotalin is a cardiotoxic bufanolide steroid, cardiac glycoside analogue, secreted by a number of toad species.[2][3] Bufotalin can be extracted from the skin parotoid glands of several types of toad. Rhinella marina (Cane toad), Rhaebo guttatus (Smooth-sided toad), Bufo melanostictus (Asian toad), and Bufo bufo (common European toad) are sources of bufotalin. Traditional medicine Bufotalin is part of Ch'an Su, a traditional Chinese medicine used for cancer. It is also known as Venenum Bufonis or senso (Japanese).[5] Toxicity Specifically, in cats the lethal median dose is 0.13 mg/kg.[1] and in dogs is 0.36 mg/kg (intravenous).[6] Knowing this it is advisable to monitor those functions continuously using an EKG. As there is no antidote against bufotalin all occurring symptoms need to be treated separately or if possible in combination with others. To increase the clearance theoretically, due to the similarities with digitoxin, cholestyramine, a bile salt, might help.[6] Recent animal studies have shown that taurine restores cardiac functions.[7] Symptomatic measures include lignocaine, atropine and phenytoin for cardiac toxicity and intravenous potassium compounds to correct hyperkalaemia from its effect on the Na+/K+ ATPase pump.[6] Pharmacology and mechanism of action After a single intravenous injection, bufotalin gets quickly distributed and eliminated from the blood plasma with a half-time of 28.6 minutes and a MRT of 14.7 min. After 30 minutes after an administration of bufotalin, the concentrations within the brain and lungs are significantly higher than those in blood and other tissues.[8] It also increases cancer cell's susceptibility to apoptosis via TNF-α signalling by the BH3 interacting domain death agonist and STAT proteins.[9] Bufotalin induces apoptosis in vitro in human hepatocellular carcinoma Hep 3B cells and might involve caspases and apoptosis inducing factor (AIF).[10] The use of bufotalin as a cancer treating compound is still in the experimental phase. It also arrests cell cycle at G(2)/M, by up- and down- regulation of several enzymes. Bufotalin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=471-95-4 (retrieved 2024-06-29) (CAS RN: 471-95-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Bufotalin is a steroid lactone isolated from Venenum Bufonis with potently antitumor activities. Bufotalin induces cancer cell apoptosis and also induces endoplasmic reticulum (ER) stress activation[1][2]. Bufotalin is a steroid lactone isolated from Venenum Bufonis with potently antitumor activities. Bufotalin induces cancer cell apoptosis and also induces endoplasmic reticulum (ER) stress activation[1][2].
Antibiotic GR 95647X
2,4,6-trihydroxy-5-(1-{5-hydroxy-1,1,3-trimethyl-decahydrocyclopropa[e]inden-3-yl}-3-methylbutyl)benzene-1,3-dicarbaldehyde
Antibiotic GR 95647X is a constituent of Eucalyptus globulus (Tasmanian blue gum). Constituent of Eucalyptus globulus (Tasmanian blue gum).
1-[O-2-(2-methyldecanoyl)] murrangatin|paniculacin
1-[O-2-(2-methyldecanoyl)] murrangatin|paniculacin
4-Hydroxy-2-[13-(3,4-methylenedioxyphenyl)tridecanoyl]cyclohexane-1,3-dione
4-Hydroxy-2-[13-(3,4-methylenedioxyphenyl)tridecanoyl]cyclohexane-1,3-dione
2-[13-(1,3-Benzodioxole-5-yl)tridecanoyl]-3,6-dihydroxy-2-cyclohexene-1-one
2-[13-(1,3-Benzodioxole-5-yl)tridecanoyl]-3,6-dihydroxy-2-cyclohexene-1-one
espinasanolide-(angelate) methyl ester|espinasanolide- methyl ester
espinasanolide-(angelate) methyl ester|espinasanolide- methyl ester
Ala Ala Gln Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
Ala Ala Arg Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid
Ala Gln Ala Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanamido]propanamido]-5-carbamimidamidopentanoic acid
Ala Gln Arg Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]propanoic acid
Ala Arg Ala Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]propanamido]-4-carbamoylbutanoic acid
Ala Arg Gln Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]propanoic acid
Cys Ile Ile Pro
(2S)-1-[(2S,3S)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Cys Ile Leu Pro
(2S)-1-[(2S)-2-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Cys Ile Pro Ile
(2S,3S)-2-{[(2S)-1-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Cys Ile Pro Leu
(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Cys Leu Ile Pro
(2S)-1-[(2S,3S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Cys Leu Leu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Cys Leu Pro Ile
(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Cys Leu Pro Leu
(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Cys Pro Ile Ile
(2S,3S)-2-[(2S,3S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-methylpentanoic acid
Cys Pro Ile Leu
(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-4-methylpentanoic acid
Cys Pro Leu Ile
(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-methylpentanoic acid
Cys Pro Leu Leu
(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-methylpentanoic acid
Gly Asn Arg Val
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-3-methylbutanoic acid
Gly Asn Val Arg
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-methylbutanamido]-5-carbamimidamidopentanoic acid
Gly Arg Asn Val
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-3-methylbutanoic acid
Gly Arg Val Asn
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-carbamoylpropanoic acid
Gly Val Asn Arg
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid
Gly Val Arg Asn
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanoic acid
Ile Cys Ile Pro
(2S)-1-[(2S,3S)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Ile Cys Leu Pro
(2S)-1-[(2S)-2-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Ile Cys Pro Ile
(2S,3S)-2-{[(2S)-1-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Ile Cys Pro Leu
(2S)-2-{[(2S)-1-[(2R)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Ile Ile Cys Pro
(2S)-1-[(2R)-2-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Ile Ile Pro Cys
(2R)-2-{[(2S)-1-[(2S,3S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid
Ile Leu Cys Pro
(2S)-1-[(2R)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Ile Leu Pro Cys
(2R)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid
Ile Pro Cys Ile
(2S,3S)-2-[(2R)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-methylpentanoic acid
Ile Pro Cys Leu
(2S)-2-[(2R)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-methylpentanoic acid
Ile Pro Ile Cys
(2R)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-sulfanylpropanoic acid
Ile Pro Leu Cys
(2R)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-sulfanylpropanoic acid
Leu Cys Ile Pro
(2S)-1-[(2S,3S)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
Leu Cys Leu Pro
(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
Leu Cys Pro Ile
(2S,3S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
Leu Cys Pro Leu
(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-4-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
Leu Ile Cys Pro
(2S)-1-[(2R)-2-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Leu Ile Pro Cys
(2R)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid
Leu Leu Cys Pro
(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Leu Leu Pro Cys
(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid
Leu Pro Cys Ile
(2S,3S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-methylpentanoic acid
Leu Pro Cys Leu
(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-4-methylpentanoic acid
Leu Pro Ile Cys
(2R)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-sulfanylpropanoic acid
Leu Pro Leu Cys
(2R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-sulfanylpropanoic acid
Met Pro Val Val
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylbutanoic acid
Met Val Pro Val
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid
Met Val Val Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-methylbutanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Asn Gly Arg Val
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-5-carbamimidamidopentanamido]-3-methylbutanoic acid
Asn Gly Val Arg
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-methylbutanamido]-5-carbamimidamidopentanoic acid
Asn Arg Gly Val
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]acetamido}-3-methylbutanoic acid
Asn Arg Val Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]acetic acid
Asn Val Gly Arg
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-methylbutanamido]acetamido}-5-carbamimidamidopentanoic acid
Asn Val Arg Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]acetic acid
Pro Cys Ile Ile
(2S,3S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]pentanamido]pentanoic acid
Pro Cys Ile Leu
(2S)-4-methyl-2-[(2S,3S)-3-methyl-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]pentanamido]pentanoic acid
Pro Cys Leu Ile
(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]pentanamido]pentanoic acid
Pro Cys Leu Leu
(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]pentanamido]pentanoic acid
Pro Ile Cys Ile
(2S,3S)-3-methyl-2-[(2R)-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-sulfanylpropanamido]pentanoic acid
Pro Ile Cys Leu
(2S)-4-methyl-2-[(2R)-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-sulfanylpropanamido]pentanoic acid
Pro Ile Ile Cys
(2R)-2-[(2S,3S)-3-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]-3-sulfanylpropanoic acid
Pro Ile Leu Cys
(2R)-2-[(2S)-4-methyl-2-[(2S,3S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]-3-sulfanylpropanoic acid
Pro Leu Cys Ile
(2S,3S)-3-methyl-2-[(2R)-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-sulfanylpropanamido]pentanoic acid
Pro Leu Cys Leu
(2S)-4-methyl-2-[(2R)-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]-3-sulfanylpropanamido]pentanoic acid
Pro Leu Ile Cys
(2R)-2-[(2S,3S)-3-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]-3-sulfanylpropanoic acid
Pro Leu Leu Cys
(2R)-2-[(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamido]pentanamido]-3-sulfanylpropanoic acid
Pro Met Val Val
(2S)-3-methyl-2-[(2S)-3-methyl-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]butanoic acid
Pro Val Met Val
(2S)-3-methyl-2-[(2S)-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-4-(methylsulfanyl)butanamido]butanoic acid
Pro Val Val Met
(2S)-2-[(2S)-3-methyl-2-[(2S)-3-methyl-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanamido]-4-(methylsulfanyl)butanoic acid
Gln Ala Ala Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanamido]propanamido]-5-carbamimidamidopentanoic acid
Gln Ala Arg Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanamido]-5-carbamimidamidopentanamido]propanoic acid
Gln Arg Ala Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]propanamido]propanoic acid
Arg Ala Ala Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]propanamido]-4-carbamoylbutanoic acid
Arg Ala Gln Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]-4-carbamoylbutanamido]propanoic acid
Arg Gly Asn Val
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-carbamoylpropanamido]-3-methylbutanoic acid
Arg Gly Val Asn
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-methylbutanamido]-3-carbamoylpropanoic acid
Arg Asn Gly Val
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]acetamido}-3-methylbutanoic acid
Arg Asn Val Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-3-methylbutanamido]acetic acid
Arg Gln Ala Ala
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]propanamido]propanoic acid
Arg Val Gly Asn
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]acetamido}-3-carbamoylpropanoic acid
Arg Val Asn Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-carbamoylpropanamido]acetic acid
Val Gly Asn Arg
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid
Val Gly Arg Asn
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-5-carbamimidamidopentanamido]-3-carbamoylpropanoic acid
Val Met Pro Val
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid
Val Met Val Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Val Asn Gly Arg
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carbamoylpropanamido]acetamido}-5-carbamimidamidopentanoic acid
Val Asn Arg Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]acetic acid
Val Pro Met Val
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanoic acid
Val Pro Val Met
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-(methylsulfanyl)butanoic acid
Val Arg Gly Asn
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanamido]acetamido}-3-carbamoylpropanoic acid
Val Arg Asn Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]acetic acid
Val Val Met Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid
Val Val Pro Met
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid
benzyl N-[1-(1-hydroxy-1-phenylpropan-2-yl)piperidin-4-yl]-N-phenylcarbamate
benzyl N-[1-(1-hydroxy-1-phenylpropan-2-yl)piperidin-4-yl]-N-phenylcarbamate
N-(3-Amino-4-chlorophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide
N-(3-Amino-4-chlorophenyl)-4-(2,4-di-tert-pentylphenoxy)butanamide
Lovastatin hydroxy acid sodium
Lovastatin hydroxy acid sodium
Lovastatin hydroxy acid sodium (Mevinolinic acid sodium) is a highly potent inhibitor of HMG-CoA reductase with a Ki of 0.6 nM[1].
1-[2-[4-Hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]-α,α-diphenyl-
1-[2-[4-Hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]-α,α-diphenyl-
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine
TETRABUTYLPHOSPHONIUM O,O-DIETHYL PHOSPHORODITHIOATE
TETRABUTYLPHOSPHONIUM O,O-DIETHYL PHOSPHORODITHIOATE
1-Azetidinepentanamide, 3-(3-hydroxyphenoxy)-delta,delta-dimethyl-alpha,alpha-diphenyl-
1-Azetidinepentanamide, 3-(3-hydroxyphenoxy)-delta,delta-dimethyl-alpha,alpha-diphenyl-
Benzamide, N-(4-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)butyl)-2-(2-(fluoro-18F)ethoxy)-5-methyl-
Benzamide, N-(4-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)butyl)-2-(2-(fluoro-18F)ethoxy)-5-methyl-
3-[(2R)-3,5-dioxo-4-[(2E.4S,6S,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoate
3-[(2R)-3,5-dioxo-4-[(2E.4S,6S,8E,10E,12E)-4,6,12-trimethyltetradeca-2,8,10,12-tetraenoyl]pyrrolidin-2-yl]-2-hydroxy-2-methylpropanoate
Xyloketal E
Xyloketal E
A xyloketal with formula C26H36O6. It was initially isolated from the mangrove fungus Xylaria sp. from the South China sea coast.
1-[[3-(4-Fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine
1-[[3-(4-Fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine
asnovolin K
asnovolin K
A meroterpenoid with formula C26H36O6 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
[(2S,3R)-6-[(2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3R)-6-[(2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
N-[(5S,6R,9R)-8-ethyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
N-[(5S,6R,9R)-8-ethyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
6-(Isobutyldimethylsilyl)-2-(pentamethyldisilanyl)-5-(trimethylsilyl)naphthalene
6-(Isobutyldimethylsilyl)-2-(pentamethyldisilanyl)-5-(trimethylsilyl)naphthalene
1-[2,4-dihydroxy-6-(2-oxopropyl)phenyl]-11-hydroxy-2,4,6,8,10-pentamethyldodeca-6,8-diene-3,5-dione
1-[2,4-dihydroxy-6-(2-oxopropyl)phenyl]-11-hydroxy-2,4,6,8,10-pentamethyldodeca-6,8-diene-3,5-dione
8a-hydroxy-3,4a,5-trimethyl-9-[(2-methylbut-2-enoyl)oxy]-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl 3-methylpent-2-enoate
8a-hydroxy-3,4a,5-trimethyl-9-[(2-methylbut-2-enoyl)oxy]-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl 3-methylpent-2-enoate
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[(1e,4r)-4-(methylamino)cyclohex-2-en-1-ylidene]propylidene]amino}-3-[(1e,4r)-4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene]propanoic acid
(2s)-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[(1e,4r)-4-(methylamino)cyclohex-2-en-1-ylidene]propylidene]amino}-3-[(1e,4r)-4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene]propanoic acid
methyl 14-acetyl-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-1-carboxylate
methyl 14-acetyl-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-1-carboxylate
2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[(1z)-4-(methylamino)cyclohex-2-en-1-ylidene]propylidene}amino)-3-[(1e)-4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene]propanoic acid
2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[(1z)-4-(methylamino)cyclohex-2-en-1-ylidene]propylidene}amino)-3-[(1e)-4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene]propanoic acid
10-[4-(acetyloxy)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dien-1-yl 2-methylprop-2-enoate
10-[4-(acetyloxy)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dien-1-yl 2-methylprop-2-enoate
[(1r,6s)-6-{[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (3s)-3-hydroxybutanoate
[(1r,6s)-6-{[(1s,4as,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (3s)-3-hydroxybutanoate
5-{10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-14,18-dien-9-yl}penta-2,4-dienoic acid
5-{10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-14,18-dien-9-yl}penta-2,4-dienoic acid
2-[11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
2-[11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
2-[2,7-dihydroxy-3-methyl-5-(2-oxopropyl)-3,4-dihydro-1-benzopyran-2-yl]-9-hydroxy-4,6,8-trimethyldeca-4,6-dien-3-one
2-[2,7-dihydroxy-3-methyl-5-(2-oxopropyl)-3,4-dihydro-1-benzopyran-2-yl]-9-hydroxy-4,6,8-trimethyldeca-4,6-dien-3-one
15-o-methyl-18-oxoneovibsanin f
NA
{"Ingredient_id": "HBIN001711","Ingredient_name": "15-o-methyl-18-oxoneovibsanin f","Alias": "NA","Ingredient_formula": "C26H36O6","Ingredient_Smile": "CC(=CC(=O)OC=CC1C2=C(C3CC1(CCC3C(C)(C)OC)C)C(=O)OC2CC(=O)C)C","Ingredient_weight": "444.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14640","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11351274","DrugBank_id": "NA"}
2-[13-(2h-1,3-benzodioxol-5-yl)tridecanoyl]-3,6-dihydroxycyclohex-2-en-1-one
2-[13-(2h-1,3-benzodioxol-5-yl)tridecanoyl]-3,6-dihydroxycyclohex-2-en-1-one
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(1r,2r,3as,3br,5ar,7s,9as,9bs,11ar)-3a,7-dihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate
(6s)-2-[13-(2h-1,3-benzodioxol-5-yl)tridecanoyl]-3,6-dihydroxycyclohex-2-en-1-one
(6s)-2-[13-(2h-1,3-benzodioxol-5-yl)tridecanoyl]-3,6-dihydroxycyclohex-2-en-1-one
7-{[(1s,2s,6s)-2-(3-hydroxypropyl)-1,6-dimethyl-3-(propan-2-ylidene)cyclohexyl]methoxy}-6,8-dimethoxychromen-2-one
7-{[(1s,2s,6s)-2-(3-hydroxypropyl)-1,6-dimethyl-3-(propan-2-ylidene)cyclohexyl]methoxy}-6,8-dimethoxychromen-2-one
1-[(1r,2r,4as,6s,7r,8as,12'r)-6,7,7'-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl]propan-2-one
1-[(1r,2r,4as,6s,7r,8as,12'r)-6,7,7'-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl]propan-2-one
7-{[2-(3-hydroxypropyl)-1,6-dimethyl-3-(propan-2-ylidene)cyclohexyl]methoxy}-6,8-dimethoxychromen-2-one
7-{[2-(3-hydroxypropyl)-1,6-dimethyl-3-(propan-2-ylidene)cyclohexyl]methoxy}-6,8-dimethoxychromen-2-one
12-(2,4-dimethyloxolan-2-yl)-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-11-ol
12-(2,4-dimethyloxolan-2-yl)-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-11-ol
(2e,4e)-5-[(1s,2r,6s,7s,9s,10s,11s,12s,17r)-10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-14,18-dien-9-yl]penta-2,4-dienoic acid
(2e,4e)-5-[(1s,2r,6s,7s,9s,10s,11s,12s,17r)-10,11-dihydroxy-2,6,15,19-tetramethyl-3,8-dioxatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-14,18-dien-9-yl]penta-2,4-dienoic acid
1-[(1r,2r,4as,6s,7r,8as,12's)-6,7,7'-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl]propan-2-one
1-[(1r,2r,4as,6s,7r,8as,12's)-6,7,7'-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2h-3',11'-dioxaspiro[naphthalene-1,4'-tricyclo[7.3.0.0²,⁶]dodecane]-1',6',8'-trien-12'-yl]propan-2-one
methyl 5,5,8a-trimethyl-4-[(2-methylbut-2-enoyl)oxy]-1-[2-(2-oxo-5h-furan-3-yl)ethyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
methyl 5,5,8a-trimethyl-4-[(2-methylbut-2-enoyl)oxy]-1-[2-(2-oxo-5h-furan-3-yl)ethyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
(1s,2s)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl (2r)-2-methyldecanoate
(1s,2s)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-1-yl (2r)-2-methyldecanoate
(2r,3e)-5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl propanoate
(2r,3e)-5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl propanoate
7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl 4-hydroxyoct-2-enoate
7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl 4-hydroxyoct-2-enoate
(4s,4as,5s,8ar,9r)-8a-hydroxy-3,4a,5-trimethyl-9-{[(2e)-2-methylbut-2-enoyl]oxy}-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl (2e)-3-methylpent-2-enoate
(4s,4as,5s,8ar,9r)-8a-hydroxy-3,4a,5-trimethyl-9-{[(2e)-2-methylbut-2-enoyl]oxy}-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl (2e)-3-methylpent-2-enoate
(2s,3r,4s,5s,6r,7r,8s)-7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2e,4r)-4-hydroxyoct-2-enoate
(2s,3r,4s,5s,6r,7r,8s)-7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2e,4r)-4-hydroxyoct-2-enoate
(1e)-2-[(1s,5s,7r,8s,11r)-11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
(1e)-2-[(1s,5s,7r,8s,11r)-11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
(1s,7s,8z,12s,13s,14s)-14-(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl butanoate
(1s,7s,8z,12s,13s,14s)-14-(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl butanoate
(2s,3r,4s,5s,6r,7r,8s)-7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (4r)-4-hydroxyoct-2-enoate
(2s,3r,4s,5s,6r,7r,8s)-7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (4r)-4-hydroxyoct-2-enoate
(4r,7r,8r,15r,18r,19r)-12-[(2r,4r)-2,4-dimethyloxolan-2-yl]-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-11-ol
(4r,7r,8r,15r,18r,19r)-12-[(2r,4r)-2,4-dimethyloxolan-2-yl]-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-11-ol
(5r)-4-hydroxy-5-[(2z,6s,7e,9e)-13-(5-methoxy-2-oxo-5h-furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-yl]-3-methyl-5h-furan-2-one
(5r)-4-hydroxy-5-[(2z,6s,7e,9e)-13-(5-methoxy-2-oxo-5h-furan-3-yl)-2,6,10-trimethyltrideca-2,7,9-trien-1-yl]-3-methyl-5h-furan-2-one
methyl (1r,4s,4as,8ar)-5,5,8a-trimethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-1-[2-(2-oxo-5h-furan-3-yl)ethyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
methyl (1r,4s,4as,8ar)-5,5,8a-trimethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-1-[2-(2-oxo-5h-furan-3-yl)ethyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate
7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2e)-4-hydroxyoct-2-enoate
7-(acetyloxy)-5,6-dihydroxy-2,4,6,8-tetramethyl-9-oxooxonan-3-yl (2e)-4-hydroxyoct-2-enoate
(2z,6e)-10-[(3e,4s,5r)-4-(acetyloxy)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dien-1-yl 2-methylprop-2-enoate
(2z,6e)-10-[(3e,4s,5r)-4-(acetyloxy)-5-(2-methylprop-1-en-1-yl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dien-1-yl 2-methylprop-2-enoate
5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylic acid
5-methyl-2-{5-methyl-2-[(2s)-1-[(2s)-3-methyl-2-[(2-methylbut-3-en-2-yl)amino]butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl}-1,3-oxazole-4-carboxylic acid
2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[4-(methylamino)cyclohex-2-en-1-ylidene]propylidene}amino)-3-{4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene}propanoic acid
2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-[4-(methylamino)cyclohex-2-en-1-ylidene]propylidene}amino)-3-{4-[(1-hydroxyethylidene)amino]cyclohex-2-en-1-ylidene}propanoic acid
5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl propanoate
5-(3-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl propanoate
(2r,2's,4'ar,4'bs,7's,8'ar,10'ar)-2',4,5,7'-tetrahydroxy-4'b,8',8',10'a-tetramethyl-2',3',4',4'a,5',6',7',8'a,9',10'-decahydro-3h-spiro[1-benzofuran-2,1'-phenanthrene]-7-carbaldehyde
(2r,2's,4'ar,4'bs,7's,8'ar,10'ar)-2',4,5,7'-tetrahydroxy-4'b,8',8',10'a-tetramethyl-2',3',4',4'a,5',6',7',8'a,9',10'-decahydro-3h-spiro[1-benzofuran-2,1'-phenanthrene]-7-carbaldehyde
(1r,3'as,3'br,5'ar,6's,9'as,9'bs,11'as)-9'a-(hydroxymethyl)-3'b,6',11'a-trimethyl-2,5-dioxo-3'a,4',5',5'a,7',8',9',9'b,10',11'-decahydro-3'h-spiro[cyclohexane-1,2'-phenanthro[2,1-b]fura]-3-ene-6'-carboxylic acid
(1r,3'as,3'br,5'ar,6's,9'as,9'bs,11'as)-9'a-(hydroxymethyl)-3'b,6',11'a-trimethyl-2,5-dioxo-3'a,4',5',5'a,7',8',9',9'b,10',11'-decahydro-3'h-spiro[cyclohexane-1,2'-phenanthro[2,1-b]fura]-3-ene-6'-carboxylic acid
(1s,3r,3as,4s,9ar)-1-(acetyloxy)-3-hydroxy-3-isopropyl-7,9a-dimethyl-1h,2h,3ah,4h,5h,6h,9h-cyclopenta[8]annulen-4-yl 4-methoxybenzoate
(1s,3r,3as,4s,9ar)-1-(acetyloxy)-3-hydroxy-3-isopropyl-7,9a-dimethyl-1h,2h,3ah,4h,5h,6h,9h-cyclopenta[8]annulen-4-yl 4-methoxybenzoate
methyl (3ar,3bs,5ar,7s,9as,9br,11ar)-9a-formyl-1,7-dihydroxy-2,3b,6,6,11,11a-hexamethyl-3-oxo-4h,5h,5ah,7h,8h,9h,9bh-cyclopenta[a]phenanthrene-3a-carboxylate
methyl (3ar,3bs,5ar,7s,9as,9br,11ar)-9a-formyl-1,7-dihydroxy-2,3b,6,6,11,11a-hexamethyl-3-oxo-4h,5h,5ah,7h,8h,9h,9bh-cyclopenta[a]phenanthrene-3a-carboxylate
(1s,3'as,3'br,5'ar,6's,9'as,9'bs,11'as)-9'a-(hydroxymethyl)-3'b,6',11'a-trimethyl-2,5-dioxo-3'a,4',5',5'a,7',8',9',9'b,10',11'-decahydro-3'h-spiro[cyclohexane-1,2'-phenanthro[2,1-b]fura]-3-ene-6'-carboxylic acid
(1s,3'as,3'br,5'ar,6's,9'as,9'bs,11'as)-9'a-(hydroxymethyl)-3'b,6',11'a-trimethyl-2,5-dioxo-3'a,4',5',5'a,7',8',9',9'b,10',11'-decahydro-3'h-spiro[cyclohexane-1,2'-phenanthro[2,1-b]fura]-3-ene-6'-carboxylic acid
methyl (1r,2s,5s,10s,11s,13r,15s)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecane-1-carboxylate
methyl (1r,2s,5s,10s,11s,13r,15s)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadecane-1-carboxylate
methyl (2r,10r,14r)-14-acetyl-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-1-carboxylate
methyl (2r,10r,14r)-14-acetyl-14-hydroxy-2,6,6,10,13-pentamethyl-16-methylidene-7,15-dioxotetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-1-carboxylate
(1r,5r,10r,13r,14s,16s,19s,21r,23r,24r)-7-isopropyl-19-methoxy-10,13-dimethyl-15,17,20,22-tetraoxaheptacyclo[12.10.0.0²,²¹.0⁵,¹³.0⁶,¹⁰.0¹⁶,²⁴.0¹⁹,²³]tetracosa-2,6-dien-24-ol
(1r,5r,10r,13r,14s,16s,19s,21r,23r,24r)-7-isopropyl-19-methoxy-10,13-dimethyl-15,17,20,22-tetraoxaheptacyclo[12.10.0.0²,²¹.0⁵,¹³.0⁶,¹⁰.0¹⁶,²⁴.0¹⁹,²³]tetracosa-2,6-dien-24-ol
14-(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl butanoate
14-(acetyloxy)-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3,8,16-trien-12-yl butanoate
7-{[(1r,2r,6r)-2-(3-hydroxypropyl)-1,6-dimethyl-3-(propan-2-ylidene)cyclohexyl]methoxy}-6,8-dimethoxychromen-2-one
7-{[(1r,2r,6r)-2-(3-hydroxypropyl)-1,6-dimethyl-3-(propan-2-ylidene)cyclohexyl]methoxy}-6,8-dimethoxychromen-2-one
(1e)-2-[(1s,5s,7r,8s,11s)-11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
(1e)-2-[(1s,5s,7r,8s,11s)-11-(2-methoxypropan-2-yl)-8-methyl-3-oxo-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0²,⁶]dodec-2(6)-en-7-yl]ethenyl 3-methylbut-2-enoate
