totarol profile

totarol: structure given in first source; isolated from the bark of Podocarpus nagi [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Podocarpus	genus	[no description available]	Podocarpaceae	[no description available]
Podocarpus nagi	species	[no description available]	Podocarpaceae	[no description available]

ID Source	ID
PubMed CID	92783
CHEMBL ID	487602
CHEBI ID	69241
SCHEMBL ID	285501
MeSH ID	M0210533

Synonym
smr001562118
MLS002695958
SMP1_000215
totarol
(4bs)-trans-8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol, 98%
BCBCMAP01_000081
(+)-8,11,13-totara-trien-13-ol
LMPR0104070001
14-isopropylpodocarpa-8,11,13-trien-13-ol
CHEMBL487602
chebi:69241 ,
4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol
unii-67nh2854ww
nsc 299936
67nh2854ww ,
bdbm50392993
(4bs)-trans-8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol
totarol [inci]
(4as,10as)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
podocarpa-8,11,13-trien-13-ol, 14-isopropy
(4bs-trans)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-isopropyl)-2-phenanthrenol
AKOS025296157
SCHEMBL285501
DTXSID9047752
NCGC00385162-01
(4bs,8as)-1-isopropyl-4b,8,8-trimethyl-
FS-9301
Q7828277
HY-N1136
(4bs,8as)-4b,8,8-trimethyl-1-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol
CS-0016424

Excerpt	Reference
"Totarol is a natural antimicrobial compound extracted from the heartwood of Podocarpus totara, a conifer native to New Zealand. "	( Guo, M; Ma, S; Shi, C; Wang, C, 2017)
"Totarol is a naturally existing diterpenoid, which has the ability to restrain bacterial growth by perturbing the cell division."	( Gajbhiye, A; Panda, D; Prasad, TS; Rapole, S; Ray, S; Reddy, PJ; Sathe, GJ; Srivastava, S, 2015)

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
diterpenoid	Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3A	Homo sapiens (human)	Potency	44.6684	0.6310	35.7641	100.0000	AID504339
glp-1 receptor, partial	Homo sapiens (human)	Potency	10.0000	0.0184	6.8060	14.1254	AID624417
TDP1 protein	Homo sapiens (human)	Potency	21.0441	0.0008	11.3822	44.6684	AID686978; AID686979
Smad3	Homo sapiens (human)	Potency	35.4813	0.0052	7.8098	29.0929	AID588855
67.9K protein	Vaccinia virus	Potency	15.8489	0.0001	8.4406	100.0000	AID720580
IDH1	Homo sapiens (human)	Potency	29.0929	0.0052	10.8652	35.4813	AID686970
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	32.6427	0.0041	9.9848	25.9290	AID504444
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	50.1187	0.4256	12.0591	28.1838	AID504891
geminin	Homo sapiens (human)	Potency	9.2000	0.0046	11.3741	33.4983	AID624296
TAR DNA-binding protein 43	Homo sapiens (human)	Potency	14.1254	1.7783	16.2081	35.4813	AID652104
Rap guanine nucleotide exchange factor 4	Homo sapiens (human)	Potency	56.2341	3.9811	46.7448	112.2020	AID720708
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Quinolone resistance protein NorA	Staphylococcus aureus	IC50 (µMol)	15.0000	7.0000	8.5000	9.7000	AID372221
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
heat shock protein HSP 90-alpha isoform 2	Homo sapiens (human)	AC50	3.7910	0.1950	3.6679	18.6960	AID540270
heat shock protein 90, putative	Plasmodium falciparum 3D7	AC50	2.8630	0.1950	4.9920	98.5000	AID540268
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of protein phosphorylation	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA processing	TAR DNA-binding protein 43	Homo sapiens (human)
RNA splicing	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of protein stability	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of insulin secretion	TAR DNA-binding protein 43	Homo sapiens (human)
response to endoplasmic reticulum stress	TAR DNA-binding protein 43	Homo sapiens (human)
positive regulation of protein import into nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of circadian rhythm	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of apoptotic process	TAR DNA-binding protein 43	Homo sapiens (human)
negative regulation by host of viral transcription	TAR DNA-binding protein 43	Homo sapiens (human)
rhythmic process	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of cell cycle	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA destabilization	TAR DNA-binding protein 43	Homo sapiens (human)
3'-UTR-mediated mRNA stabilization	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear inner membrane organization	TAR DNA-binding protein 43	Homo sapiens (human)
amyloid fibril formation	TAR DNA-binding protein 43	Homo sapiens (human)
regulation of gene expression	TAR DNA-binding protein 43	Homo sapiens (human)
adaptive immune response	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathway	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
calcium-ion regulated exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of exocytosis	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
positive regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of synaptic vesicle cycle	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
Ras protein signal transduction	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
regulation of insulin secretion	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
RNA polymerase II cis-regulatory region sequence-specific DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
double-stranded DNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
RNA binding	TAR DNA-binding protein 43	Homo sapiens (human)
mRNA 3'-UTR binding	TAR DNA-binding protein 43	Homo sapiens (human)
protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
lipid binding	TAR DNA-binding protein 43	Homo sapiens (human)
identical protein binding	TAR DNA-binding protein 43	Homo sapiens (human)
pre-mRNA intronic binding	TAR DNA-binding protein 43	Homo sapiens (human)
molecular condensate scaffold activity	TAR DNA-binding protein 43	Homo sapiens (human)
guanyl-nucleotide exchange factor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
cAMP binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
protein-macromolecule adaptor activity	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
small GTPase binding	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
intracellular non-membrane-bounded organelle	TAR DNA-binding protein 43	Homo sapiens (human)
nucleus	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
perichromatin fibrils	TAR DNA-binding protein 43	Homo sapiens (human)
mitochondrion	TAR DNA-binding protein 43	Homo sapiens (human)
cytoplasmic stress granule	TAR DNA-binding protein 43	Homo sapiens (human)
nuclear speck	TAR DNA-binding protein 43	Homo sapiens (human)
interchromatin granule	TAR DNA-binding protein 43	Homo sapiens (human)
nucleoplasm	TAR DNA-binding protein 43	Homo sapiens (human)
chromatin	TAR DNA-binding protein 43	Homo sapiens (human)
cytosol	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
hippocampal mossy fiber to CA3 synapse	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
plasma membrane	Rap guanine nucleotide exchange factor 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (81)

Assay ID	Title	Year	Journal	Article
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID372223	Inhibition of NorA efflux pump in Staphylococcus aureus isolate15 assessed as potentiation of oxacillin MIC	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID636080	Selectivity index, ratio of IC50 for CHO cells to IC50 for chloroquine-resistant Plasmodium falciparum K1	2012	Bioorganic & medicinal chemistry, Jan-15, Volume: 20, Issue:2	Synthesis, biological evaluation and mechanistic studies of totarol amino alcohol derivatives as potential antimalarial agents.
AID336580	Antifungal activity against Candida albicans ATCC 18804 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID335713	Antibacterial activity against Brevibacterium ammoniagenes ATCC 6872 after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID1226073	Antiviral activity against oseltamivir-sensitive Influenza A virus (A/Hong Kong/8/68(H3N2)) infected in MDCK cells assessed as protection against virus-induced cytocidal effect at 20 uM after 48 hrs by CellTiter-Glo assay relative to control	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Phenolic diterpenoid derivatives as anti-influenza a virus agents.
AID336579	Antifungal activity against Saccharomyces cerevisiae ATCC 7754 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID692799	Antibacterial activity against Bacillus subtilis 168 after 16 hrs	2012	ACS medicinal chemistry letters, Aug-28, Volume: 3, Issue:10	The Synthesis and Antimicrobial Activity of Heterocyclic Derivatives of Totarol.
AID372225	Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in ethidium bromide MIC	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1120513	Antimicrobial activity against Bacillus subtilis subsp. subtilis str. 168 after 18 hrs by macro-dilution method	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID636078	Cytotoxicity against CHO cells after 48 hrs by MTT assay	2012	Bioorganic & medicinal chemistry, Jan-15, Volume: 20, Issue:2	Synthesis, biological evaluation and mechanistic studies of totarol amino alcohol derivatives as potential antimalarial agents.
AID336566	Antibacterial activity against penicillin-susceptible Staphylococcus aureus ATCC 12598 after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID372221	Inhibition of NorA efflux pump in Staphylococcus aureus K3092 assessed as inhibition of EtBr efflux	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID1120510	Induction of transmembrane potential loss in Bacillus subtilis subsp. subtilis str. 168 at 1 times MIC pre-treated for 5 mins and measured 15 mins post dye addition by DiOC2 dye based flow cytometry	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID372228	Antimicrobial activity against Staphylococcus aureus 1199B expressing NorA pump	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID336582	Antifungal activity against Pityrosporum ovale ATCC 14521 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID336567	Antibacterial activity against penicillin-resistant Staphylococcus aureus ATCC 29247 after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID1201468	Antimicrobial activity against Escherichia coli	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID336569	Antibacterial activity against Propionibacterium acnes ATCC 11827 after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID374687	Antimicrobial activity against Staphylococcus aureus NCTC 8325-4 expressing NorA gene	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID336577	Antibacterial activity against Enterobacter aerogenes ATCC 13048 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID336568	Antibacterial activity against Streptococcus mutans ATCC 25175 after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID1201481	Inhibition of FtsZ (unknown origin) assessed as reduction in enzyme GTPase activity	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID692800	Inhibition of Bacillus subtilis FtsZ GTPase activity by enzyme-coupled assay	2012	ACS medicinal chemistry letters, Aug-28, Volume: 3, Issue:10	The Synthesis and Antimicrobial Activity of Heterocyclic Derivatives of Totarol.
AID335712	Antibacterial activity against Bacillus subtilis ATCC 9372 after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID1120502	Protonophore activity in Bacillus subtilis subsp. subtilis str. 168 assessed as induction of rapid equlibration of delta-pH at 1 times MIC	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID1201469	Antimicrobial activity against Staphylococcus aureus	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID374692	Antimicrobial activity against Staphylococcus aureus XU212 expressing tetK pump	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID636076	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 after 48 hrs by lactate dehydrogenase assay	2012	Bioorganic & medicinal chemistry, Jan-15, Volume: 20, Issue:2	Synthesis, biological evaluation and mechanistic studies of totarol amino alcohol derivatives as potential antimalarial agents.
AID372217	Inhibition of MsrA efflux pump in Staphylococcus aureus RN4220 assessed as reduction in erythromycin MIC at 1 ug/ml	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID636077	Resistance index, ratio of IC50 for chloroquine-resistant Plasmodium falciparum K1 to IC50 for chloroquine-sensitive Plasmodium falciparum D10	2012	Bioorganic & medicinal chemistry, Jan-15, Volume: 20, Issue:2	Synthesis, biological evaluation and mechanistic studies of totarol amino alcohol derivatives as potential antimalarial agents.
AID336581	Antifungal activity against Penicillium chrysogenum ATCC 10106 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID636075	Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 after 48 hrs by lactate dehydrogenase assay	2012	Bioorganic & medicinal chemistry, Jan-15, Volume: 20, Issue:2	Synthesis, biological evaluation and mechanistic studies of totarol amino alcohol derivatives as potential antimalarial agents.
AID688450	Allosteric modulation of gamma-aminobutyric acid receptor A alpha1beta2gamma2S expressed in Xenopus oocytes assessed as potentiation of GABA-mediated chloride current at 100 uM by voltage clamp analysis relative to control	2011	Journal of natural products, Aug-26, Volume: 74, Issue:8	Identification and characterization of GABA(A) receptor modulatory diterpenes from Biota orientalis that decrease locomotor activity in mice.
AID1226071	Antiviral activity against oseltamivir/amantadine-resistant Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infected in MDCK cells assessed as protection against virus-induced cytocidal effect after 48 hrs by CellTiter-Glo assay	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Phenolic diterpenoid derivatives as anti-influenza a virus agents.
AID1201472	Antimicrobial activity against Mycobacterium tuberculosis	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID374690	Antimicrobial activity against Staphylococcus aureus K3092 overexpressing NorA gene	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID372222	Inhibition of NorA efflux pump in methicillin-resistant Staphylococcus aureus assessed as reduction in methicillin MIC	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID1201473	Inhibition of FtsZ in methicillin-resistant Staphylococcus aureus assessed as reduction in methicillin MIC (Rvb = 32 ug/ml)	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID636079	Selectivity index, ratio of IC50 for CHO cells to IC50 for chloroquine-sensitive Plasmodium falciparum D10	2012	Bioorganic & medicinal chemistry, Jan-15, Volume: 20, Issue:2	Synthesis, biological evaluation and mechanistic studies of totarol amino alcohol derivatives as potential antimalarial agents.
AID336578	Antibacterial activity against Escherichia coli ATCC 13048 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID1120505	Induction of membrane disruption in mouse C2C12 cells assessed as change in oxygen consumption rate	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID374694	Inhibition of tetK efflux pump in Staphylococcus aureus XU212 assessed as reduction in tetracycline MIC at 1 ug/ml	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID1226075	Antiviral activity against oseltamivir/amantadine-resistant Influenza A virus (A/Puerto Rico/8/1934(H1N1)) assessed as inhibition of viral infectivity in MDCK cells at 10 uM after 6 hrs by FITC conjugated anti-NP antibodies/DAPI staining-based confocal mi	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Phenolic diterpenoid derivatives as anti-influenza a virus agents.
AID1201474	Binding affinity to Mycobacterium tuberculosis FtsZ	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID1120509	Increase in bacterial membrane permeability in Bacillus subtilis subsp. subtilis str. 168 at 1 times MIC pre-treated for 5 mins and measured 30 mins post dye addition by propidium iodide dye based flow cytometry	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID372224	Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID374689	Antimicrobial activity against totarol-resistant Staphylococcus aureus K3090	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID372226	Inhibition of NorA efflux pump in Staphylococcus aureus K3092 assessed as reduction in ethidium bromide MIC	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID374688	Antimicrobial activity against NorA deficient Staphylococcus aureus K1758	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID374693	Antimicrobial activity against Staphylococcus aureus ATCC 25923	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID1226072	Cytotoxicity against MDCK cells assessed as reduction of cell viability	2015	ACS medicinal chemistry letters, Mar-12, Volume: 6, Issue:3	Phenolic diterpenoid derivatives as anti-influenza a virus agents.
AID332912	Antimicrobial activity Propionibacterium acnes ATCC 11827 after 2 days by broth dilution method	1994	Journal of natural products, Jan, Volume: 57, Issue:1	Naturally occurring antiacne agents.
AID336576	Antibacterial activity against Pseudomonas aeruginosa ATCC 10145 up to 400 ug/ml after 2 days by twofold serial dilution method	1992	Journal of natural products, Oct, Volume: 55, Issue:10	Antibacterial activity of totarol and its potentiation.
AID688449	Allosteric modulation of gamma-aminobutyric acid receptor A alpha1beta2gamma2S expressed in Xenopus oocytes assessed as potentiation of GABA-mediated chloride current at 10 uM by voltage clamp analysis relative to control	2011	Journal of natural products, Aug-26, Volume: 74, Issue:8	Identification and characterization of GABA(A) receptor modulatory diterpenes from Biota orientalis that decrease locomotor activity in mice.
AID372216	Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in Norfloxacin MIC at 1 ug/ml	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID692801	Inhibition of Bacillus subtilis FtsZ GTPase activity by enzyme-coupled assay in presence of 0.01% triton X-100	2012	ACS medicinal chemistry letters, Aug-28, Volume: 3, Issue:10	The Synthesis and Antimicrobial Activity of Heterocyclic Derivatives of Totarol.
AID374691	Antimicrobial activity against Staphylococcus aureus RN4220 expressing MsrA protein	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID1201489	Antimicrobial activity against Bacillus subtilis 168	2015	European journal of medicinal chemistry, May-05, Volume: 95	Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ.
AID1120500	Induction of membrane associated proteins mislocalization in Bacillus subtilis subsp. subtilis str. 168 assessed as reduction in GFP-MinD protein localization by fluorescence assay	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID372227	Ratio of inhibition of CHO cells to IC50 for chloroquine-resistant Plasmodium falciparum	2007	Antimicrobial agents and chemotherapy, Dec, Volume: 51, Issue:12	The phenolic diterpene totarol inhibits multidrug efflux pump activity in Staphylococcus aureus.
AID1120499	Phospholipid-water partition coefficient, Kp of the compound	2013	MedChemComm, Jan-01, Volume: 4, Issue:1	Inhibitors of bacterial tubulin target bacterial membranes
AID1330856	Inhibition of recombinant Mycobacterium tuberculosis FtsZ GTPase activity expressed in Escherichia coli assessed as inorganic phosphate release at 50 uM measured after 15 mins in presence of GTP using malachite green dye by fluorescence spectrophotometry	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	FtsZ inhibition and redox modulation with one chemical scaffold: Potential use of dihydroquinolines against mycobacteria.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	7 (14.58)	18.2507
2000's	17 (35.42)	29.6817
2010's	19 (39.58)	24.3611
2020's	5 (10.42)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	2 (4.08%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	47 (95.92%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
penicillin g	[no description available]	medium	1	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
salicylic acid	[no description available]	medium	1	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
indole	[no description available]	medium	1	indole; polycyclic heteroarene	Escherichia coli metabolite
1-octanol	[no description available]	medium	1	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
menthol	[no description available]	medium	1	p-menthane monoterpenoid; secondary alcohol	volatile oil component
caffeine	[no description available]	medium	1	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
cetyl alcohol	[no description available]	medium	1	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
beta-thujaplicin	[no description available]	medium	1	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
lauric acid	[no description available]	medium	1	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
safrole	[no description available]	medium	1	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
linalool	[no description available]	medium	1	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
alpha-pinene	[no description available]	medium	1	pinene	plant metabolite
thymol	[no description available]	medium	1	monoterpenoid; phenols	volatile oil component
methyleugenol	[no description available]	medium	1	phenylpropanoid
1-hexanol	[no description available]	medium	1	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
heptanol	[no description available]	medium	1	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
n-decyl alcohol	[no description available]	medium	1	decanol; primary alcohol	metabolite; pheromone; protic solvent
undecan-1-ol	[no description available]	medium	1	primary alcohol; undecanol	flavouring agent; plant metabolite
dodecanol	[no description available]	medium	1	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite
1-tridecanol	[no description available]	medium	1	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
myristyl alcohol	[no description available]	medium	1	long-chain primary fatty alcohol; tetradecanol	pheromone; plant metabolite; volatile oil component
stearyl alcohol	[no description available]	medium	1	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
1-nonanol	[no description available]	medium	1	nonanol; primary alcohol	antifungal agent; flavouring agent; plant metabolite; volatile oil component
abietic acid	[no description available]	medium	2	abietane diterpenoid; monocarboxylic acid	plant metabolite
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	medium	1	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
6-methylsalicylic acid	[no description available]	medium	1	monohydroxybenzoic acid	Penicillium metabolite; plant metabolite
terpinolene	[no description available]	medium	1	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component
2-hexanol	[no description available]	medium	1	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
2-nonanol	[no description available]	medium	1	nonanol; secondary alcohol	bacterial metabolite; flavouring agent; pheromone; plant metabolite; rat metabolite; volatile oil component
beta-pinene	[no description available]	medium	1	pinene	plant metabolite
2-octanol	[no description available]	medium	1	octanol; secondary alcohol	plant metabolite; volatile oil component
3-carene	[no description available]	medium	1	monoterpene
polygodial	[no description available]	medium	1	aldehyde
nagilactone c	[no description available]	medium	1
camphora	[no description available]	medium	1	camphor
anacardic acid	[no description available]	medium	2	hydroxy monocarboxylic acid; hydroxybenzoic acid	anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite
sitosterol, (3beta)-isomer	[no description available]	medium	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
(+)-limonene	[no description available]	medium	1	limonene	plant metabolite
(+)-delta-cadinene	[no description available]	medium	1	cadinene; delta-cadinene
1-alpha-terpineol	[no description available]	medium	1	alpha-terpineol	plant metabolite
farnesol	[no description available]	medium	1	farnesol	plant metabolite
alpha-asarone	[no description available]	medium	1	asarone	anticonvulsant; GABA modulator
anethole	[no description available]	medium	1	anethole	flavouring agent
geraniol	[no description available]	medium	1	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
isosafrole	[no description available]	medium	1	benzodioxoles
longifolene	[no description available]	medium	1	longifolene
caryophyllene	[no description available]	medium	1	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
humulene	[no description available]	medium	1	alpha-humulene
ginkgolic acid	[no description available]	medium	1	hydroxybenzoic acid
nerolidol	[no description available]	medium	1	nerolidol
borneol	[no description available]	medium	1	borneol
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	[no description available]	medium	1	hydroxybenzoic acid
reserpine	[no description available]	medium	1	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
ethidium bromide	[no description available]	medium	1	organic bromide salt	geroprotector; intercalator; trypanocidal drug
clotiazepam	[no description available]	medium	1	organic molecular entity
midazolam	[no description available]	medium	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
triazolam	[no description available]	medium	1	triazolobenzodiazepine	sedative
pinusolide	[no description available]	medium	1	diterpene lactone	metabolite
sandaracopimaric acid	[no description available]	medium	1	monocarboxylic acid; pimarane diterpenoid; tricyclic diterpenoid	plant metabolite
isopimaric acid	[no description available]	medium	1	carbotricyclic compound; diterpenoid; monocarboxylic acid
phenol	[no description available]	medium	1	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
verapamil	[no description available]	medium	1	aromatic ether; nitrile; polyether; tertiary amino compound
mefloquine hydrochloride	[no description available]	medium	1	organofluorine compound; piperidines; quinolines; secondary alcohol
propranolol	[no description available]	medium	1	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
1-naphthol	[no description available]	medium	1	naphthol	genotoxin; human xenobiotic metabolite
2-naphthol	[no description available]	medium	2	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
emetine	[no description available]	medium	1	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
phenylglycidyl ether	[no description available]	medium	1	aromatic ether
glycidyl 1-naphthyl ether	[no description available]	medium	1
vancomycin	[no description available]	medium	1	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	1	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
dichlorophen	[no description available]	medium	1	bridged diphenyl fungicide; diarylmethane
sanguinarine	[no description available]	medium	1	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
trichlorophene	[no description available]	medium	1
cinnamaldehyde	[no description available]	medium	2	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
cefuroxime	[no description available]	medium	1	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
pc190723	[no description available]	medium	2
berberine	[no description available]	medium	3	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
dapi	[no description available]	medium	2	indoles	fluorochrome
amikacin	[no description available]	medium	1	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
dichamanetin	[no description available]	medium	1	diarylheptanoid	metabolite
chrysophaentin a	[no description available]	medium	1
amantadine	[no description available]	medium	1	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
oseltamivir	[no description available]	medium	1	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
podocarpic acid	[no description available]	medium	1	abietane diterpenoid
streptomycin	[no description available]	medium	1	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
rifampin	[no description available]	medium	1	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
titanium	[no description available]	medium	1	titanium group element atom
triazoles	[no description available]	medium	1	1,2,3-triazole
glutamic acid	[no description available]	medium	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
pimarane	[no description available]	medium	1	diterpene; terpenoid fundamental parent
ferruginol	[no description available]	medium	2	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
abieta-7(8),13(14)-diene	[no description available]	medium	1	abietadiene
communic acid	[no description available]	medium	1
chloroquine	[no description available]	medium	2	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
phenanthrenes	[no description available]	medium	1
gadolinium	[no description available]	medium	1	f-block element atom; lanthanoid atom
phosphatidylcholines	[no description available]	medium	1	1,2-diacyl-sn-glycero-3-phosphocholine
monolaurin	[no description available]	medium	1	1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol
nimbidiol	[no description available]	medium	1
rhodamine b	[no description available]	medium	1	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
n-(3-pyrene)maleimide	[no description available]	medium	1
bisphenol a	[no description available]	medium	1	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
nad	[no description available]	medium	2	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
adenosine diphosphate	[no description available]	medium	1	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
linoleic acid	[no description available]	medium	2	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
nadp	[no description available]	medium	2
methicillin	[no description available]	medium	1	penicillin allergen; penicillin	antibacterial drug
chloramphenicol	[no description available]	medium	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
salicylates	[no description available]	medium	1	monohydroxybenzoate	plant metabolite
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	1	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
succinic acid	[no description available]	medium	1	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
parinaric acid	[no description available]	medium	1	octadecatetraenoic acid
dimyristoylphosphatidylcholine	[no description available]	medium	2	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
dimyristoylphosphatidylglycerol	[no description available]	medium	1
alpha-hydroxyglutarate	[no description available]	low	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
alpha-isopropylmalate	[no description available]	low	0	2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid	metabolite
acetoacetic acid	[no description available]	low	0	3-oxo fatty acid; ketone body	metabolite
3-hydroxybenzyl alcohol	[no description available]	low	0	hydroxybenzyl alcohol; phenols	metabolite
n-carbamoyl-beta-alanine	[no description available]	low	0	beta-alanine derivative	metabolite; mouse metabolite
ethylene glycol	[no description available]	low	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetoin	[no description available]	low	0	methyl ketone; secondary alpha-hydroxy ketone	metabolite
ammonium hydroxide	[no description available]	low	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
benzyl alcohol	[no description available]	low	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
carbon monoxide	[no description available]	low	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formic acid	[no description available]	low	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
4-hydroxymandelic acid	[no description available]	low	0	2-hydroxy carboxylic acid; phenols	metabolite
aminoethylphosphonic acid	[no description available]	low	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
hydrogen sulfide	[no description available]	low	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
4-aminophenol	[no description available]	low	0	aminophenol	allergen; metabolite
n(1)-acetylspermidine	[no description available]	low	0	acetylspermidine	Escherichia coli metabolite; metabolite
aminocaproic acid	[no description available]	low	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
dihydrouracil	[no description available]	low	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
dihydroxyacetone	[no description available]	low	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethylamine	[no description available]	low	0	methylamines; secondary aliphatic amine	metabolite
glycolic acid	[no description available]	low	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
hydantoin-5-propionic acid	[no description available]	low	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
niacinamide	[no description available]	low	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	low	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
orotic acid	[no description available]	low	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
oxaloacetic acid	[no description available]	low	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
porphobilinogen	[no description available]	low	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
1-propanol	[no description available]	low	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
trimethyloxamine	[no description available]	low	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
6-hydroxymelatonin	[no description available]	low	0	acetamides; tryptamines	metabolite; mouse metabolite
n-acetylphenylalanine	[no description available]	low	0	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite
n-acetyltryptophan	[no description available]	low	0	N-acetyl-amino acid; tryptophan derivative	metabolite
arecoline	[no description available]	low	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aristolochic acid i	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
dibutyl phthalate	[no description available]	low	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
hydroxymethyltolbutamide	[no description available]	low	0	benzyl alcohols; sulfonamide; ureas	metabolite
methyl salicylate	[no description available]	low	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
myristicin	[no description available]	low	0	organic molecular entity	metabolite
phenmetrazine	[no description available]	low	0	morpholines	metabolite; sympathomimetic agent
phenylbutazone	[no description available]	low	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
2,2'-thiodiethanol	[no description available]	low	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
sorbitol	[no description available]	low	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
alloxan	[no description available]	low	0	pyrimidone	hyperglycemic agent; metabolite
thymidine	[no description available]	low	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
glutamine	[no description available]	low	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
allyl isothiocyanate	[no description available]	low	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
n-methyltryptamine	[no description available]	low	0	tryptamine alkaloid; tryptamines	metabolite
4-deoxypyridoxine	[no description available]	low	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite
cycloserine	[no description available]	low	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	low	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
mannitol	[no description available]	low	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
phenacyl bromide	[no description available]	low	0	acetophenones; alpha-bromoketone	metabolite
trichloroacetic acid	[no description available]	low	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
acrylic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
n-methylacetamide	[no description available]	low	0	acetamides; monocarboxylic acid amide	metabolite
bis(4-hydroxyphenyl)sulfone	[no description available]	low	0	bisphenol; sulfone	endocrine disruptor; metabolite
rotenone	[no description available]	low	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
7-amino-4-hydroxy-2-naphthalenesulfonic acid	[no description available]	low	0	aminonaphthalenesulfonic acid; naphthols	metabolite
methyl benzoate	[no description available]	low	0	benzoate ester; methyl ester	insect attractant; metabolite
2-dichlorobenzene	[no description available]	low	0	dichlorobenzene	hepatotoxic agent; metabolite
2,4-diaminotoluene	[no description available]	low	0	aminotoluene	metabolite
4-butyrolactone	[no description available]	low	0	butan-4-olide	metabolite; neurotoxin
sulfosalicylic acid	[no description available]	low	0	arenesulfonic acid; benzoic acids; phenols	metabolite
ethyl lactate	[no description available]	low	0	ethyl ester; lactate ester; secondary alcohol	metabolite
furaldehyde	[no description available]	low	0	aldehyde; furans	Maillard reaction product; metabolite
thiophene-2-carboxaldehyde	[no description available]	low	0	aldehyde; thiophenes	metabolite
alpha-resorcylic acid	[no description available]	low	0	dihydroxybenzoic acid; resorcinols	metabolite
methylenebis(chloroaniline)	[no description available]	low	0	chloroaniline	metabolite
2-phenylethyl acetate	[no description available]	low	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
dibenzyl ether	[no description available]	low	0	benzyl ether	metabolite
ethyl propionate	[no description available]	low	0	propanoate ester	metabolite
citronellal	[no description available]	low	0	aldehyde; monoterpenoid	antifungal agent; metabolite
ethyl oenanthate	[no description available]	low	0	fatty acid ethyl ester	metabolite
ethyl caprylate	[no description available]	low	0	fatty acid ethyl ester; octanoate ester	metabolite
ethyl laurate	[no description available]	low	0	fatty acid ethyl ester	metabolite
acetic anhydride	[no description available]	low	0	acyclic carboxylic anhydride	metabolite; reagent
ethyl isovalerate	[no description available]	low	0	fatty acid ethyl ester; olefinic compound	metabolite
n-butyl n-butyrate	[no description available]	low	0	butyrate ester	metabolite
ethyl decanoate	[no description available]	low	0	decanoate ester; fatty acid ethyl ester	metabolite
methyl octanoate	[no description available]	low	0	fatty acid methyl ester; octanoate ester	metabolite
2-octanone	[no description available]	low	0	methyl ketone	metabolite
hexylamine	[no description available]	low	0	primary aliphatic amine	metabolite
lauric acid methyl ester	[no description available]	low	0	dodecanoate ester; fatty acid methyl ester	metabolite
octylamine	[no description available]	low	0	primary aliphatic amine	metabolite
methyl palmitate	[no description available]	low	0	fatty acid methyl ester	metabolite
maltol	[no description available]	low	0	4-pyranones	metabolite
chloranil	[no description available]	low	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
dibenzoylmethane	[no description available]	low	0	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite
methyl anthranilate	[no description available]	low	0	benzoate ester	flavouring agent; metabolite
benzyl acetate	[no description available]	low	0	acetate ester; benzyl ester	metabolite
ethyl acetate	[no description available]	low	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
dibenzyl disulfide	[no description available]	low	0	organic aromatic compound; organic disulfide	metabolite
mequinol	[no description available]	low	0	methoxybenzenes; phenols	metabolite
gamma-resorcylic acid	[no description available]	low	0	dihydroxybenzoic acid	metabolite
kynuramine	[no description available]	low	0	kynurenamines; primary amino compound	metabolite
5-methylpyrazole-3-carboxylic acid	[no description available]	low	0	monocarboxylic acid; pyrazoles	metabolite
4-trifluoromethylaniline	[no description available]	low	0	(trifluoromethyl)benzenes; substituted aniline	metabolite
methylguanidine	[no description available]	low	0	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin
liriodenine	[no description available]	low	0	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
plumbagin	[no description available]	low	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
imperatorin	[no description available]	low	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
osthol	[no description available]	low	0	botanical anti-fungal agent; coumarins	metabolite
Dillapiole	[no description available]	low	0	benzodioxoles	metabolite
coumaran	[no description available]	low	0	1-benzofurans	metabolite
1,3-propanediol	[no description available]	low	0	propane-1,3-diols	metabolite; protic solvent
tridecanedioic acid	[no description available]	low	0	alpha,omega-dicarboxylic acid	metabolite
physcione	[no description available]	low	0	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite
apiole	[no description available]	low	0	benzodioxoles	metabolite
flavone	[no description available]	low	0	flavones	metabolite; nematicide
cetyl palmitate	[no description available]	low	0	hexadecanoate ester	metabolite
n-amyl butyrate	[no description available]	low	0	butyrate ester	metabolite
3-aminobutyric acid	[no description available]	low	0	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite
methyl lactate	[no description available]	low	0	lactate ester; methyl ester	metabolite
paeonol	[no description available]	low	0	methoxybenzenes; phenols	metabolite
2,2-dimethylbutyric acid	[no description available]	low	0	dimethylbutyric acid	metabolite
2-chloroacrylic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid	metabolite
galactitol	[no description available]	low	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
1-methyluracil	[no description available]	low	0	nucleobase analogue; pyrimidone	metabolite
2-pyrrolidone	[no description available]	low	0	pyrrolidin-2-ones	metabolite; polar solvent
n-ethylacetamide	[no description available]	low	0	acetamides	metabolite
6-methyluracil	[no description available]	low	0	pyrimidone	metabolite
3-methylglutaric acid	[no description available]	low	0	alpha,omega-dicarboxylic acid	metabolite
amyl acetate	[no description available]	low	0	acetate ester	metabolite
dibenzothiophene 5-oxide	[no description available]	low	0	dibenzothiophenes	metabolite
2-acetamidoethanethiol	[no description available]	low	0	acetamides	metabolite
2-hydroxyquinoxaline	[no description available]	low	0	hydroxyquinoxaline	metabolite
3,4-dihydroxyacetophenone	[no description available]	low	0	acetophenones; catechols; dihydroxyacetophenone	metabolite
methyl hippurate	[no description available]	low	0	glycine derivative; methyl ester	metabolite
isobarbaloin	[no description available]	low	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
vincamine	[no description available]	low	0	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
methyl tert-butyl ether	[no description available]	low	0	ether	fuel additive; metabolite; non-polar solvent
4-octylphenol	[no description available]	low	0	phenols	metabolite; surfactant; xenoestrogen
dronabinol	[no description available]	medium	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
phenethyl isothiocyanate	[no description available]	low	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
2-methoxy-1,4-naphthoquinone	[no description available]	low	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
aviprin	[no description available]	low	0	furanocoumarin	metabolite
hydroxyphenytoin	[no description available]	low	0	imidazolidine-2,4-dione; phenols	metabolite
squaric acid	[no description available]	low	0	alicyclic ketone; carbon oxoacid	metabolite
methyl methanethiosulfonate	[no description available]	low	0	sulfonic acid derivative; thiosulfonate ester	metabolite
arabinofuranosyluracil	[no description available]	low	0	N-glycosyl compound	metabolite
6-aminonicotinic acid	[no description available]	low	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
mannose	[no description available]	low	0	D-aldohexose; D-mannose; mannopyranose	metabolite
2,3-hexanedione	[no description available]	low	0	alpha-diketone	metabolite
tabersonine	[no description available]	low	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite
3,3-dimethylglutarate	[no description available]	low	0	alpha,omega-dicarboxylic acid	metabolite
raspberry ketone	[no description available]	low	0	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite
laurolitsine	[no description available]	low	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
helenalin	[no description available]	low	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
diethyl malate	[no description available]	low	0	malate ester	metabolite
carbendazim	[no description available]	low	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
glucoheptonate	[no description available]	low	0	carbohydrate acid; monocarboxylic acid	metabolite
deslanoside	[no description available]	low	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
streptozocin	[no description available]	low	0	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite
pedalitin	[no description available]	low	0	monomethoxyflavone; tetrahydroxyflavone	EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite
ethyl nonanoate	[no description available]	low	0	fatty acid ethyl ester	metabolite
ethyl hexanoate	[no description available]	low	0	fatty acid ethyl ester; hexanoate ester	metabolite
butyl acetate	[no description available]	low	0	acetate ester	metabolite
1,4-dioxane	[no description available]	low	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
isoamyl acetate	[no description available]	low	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
ribostamycin	[no description available]	low	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
tramadol	[no description available]	low	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
6-pentylpyrone	[no description available]	low	0	2-pyranones	metabolite
paclitaxel	[no description available]	low	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
4-methylhistamine	[no description available]	low	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
perfosfamide	[no description available]	low	0	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite
castanospermine	[no description available]	low	0	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite
pravastatin	[no description available]	low	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
3-methyl-2-butenal	[no description available]	low	0	enal	metabolite
ethyl 3-hydroxybutyrate	[no description available]	low	0	fatty acid ethyl ester	metabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone	[no description available]	low	0	butenolide	metabolite
n-methylnicotinamide	[no description available]	low	0	pyridinecarboxamide	metabolite
3-aminoisobutyric acid	[no description available]	low	0	amino acid zwitterion; beta-amino acid	metabolite
platanic acid	[no description available]	low	0	hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid	anti-HIV agent; metabolite
2'-deoxyuridylic acid	[no description available]	low	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
gallocatechol	[no description available]	low	0	gallocatechin	antioxidant; metabolite; radical scavenger
1-methylinosine	[no description available]	low	0	inosines	metabolite
dihydrobetulinic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite
bergenin	[no description available]	low	0	trihydroxybenzoic acid	metabolite
2-methoxyestradiol	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
3'-cmp	[no description available]	low	0	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
xanthoxyletin	[no description available]	low	0	coumarins	metabolite
pinocembrin	[no description available]	low	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
orsellinic acid	[no description available]	low	0	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite
isoimperatorin	[no description available]	low	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
rotenolone	[no description available]	low	0	organic molecular entity	metabolite
seselin	[no description available]	low	0	coumarins	metabolite
perillene	[no description available]	low	0	furans; monoterpenoid	fragrance; metabolite; semiochemical
glycine methyl ester	[no description available]	low	0	glycinyl ester	metabolite
hexadecanamide	[no description available]	low	0	primary fatty amide	metabolite
benzocyclobutene	[no description available]	low	0	carbobicyclic compound	metabolite
9-methyladenine	[no description available]	low	0	methyladenine	metabolite
n'-methyl-2-pyridone-5-carboxamide	[no description available]	low	0	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite
1,3-dimethyluracil	[no description available]	low	0	pyrimidone	metabolite
3-methoxysalicylic acid	[no description available]	low	0	methoxysalicylic acid	metabolite
1,3-dimethyluric acid	[no description available]	low	0	oxopurine	metabolite
leucyltyrosine	[no description available]	low	0	dipeptide	metabolite
3-methylxanthine	[no description available]	low	0	3-methylxanthine	metabolite
leucyl-glycyl-glycine	[no description available]	low	0	tripeptide	metabolite
acetylleucine	[no description available]	low	0	L-leucine derivative; N-acetyl-L-amino acid	metabolite
n-benzoylalanine, (dl-ala)-isomer	[no description available]	low	0	alanine derivative; N-acyl-amino acid	metabolite
dipropylacetamide	[no description available]	low	0	fatty amide	geroprotector; metabolite; teratogenic agent
masoprocol	[no description available]	low	0	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite
7-methyladenine	[no description available]	low	0	methyladenine	metabolite
acetylisoniazid	[no description available]	low	0	carbohydrazide	metabolite
illimaquinone	[no description available]	low	0	monohydroxy-1,4-benzoquinones; prenylquinone	metabolite
coptisine	[no description available]	low	0	alkaloid	metabolite
betulin	[no description available]	low	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
narciclasine	[no description available]	low	0	phenanthridines	metabolite
lividomycin	[no description available]	low	0	lividomycins	metabolite
dmp 323	[no description available]	low	0	diazepanone; ureas	anti-HIV agent; metabolite
eupolauridine	[no description available]	low	0	naphthyridine derivative	metabolite
zaluzanin C	[no description available]	low	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
2-aminonicotinic acid	[no description available]	low	0	aminonicotinic acid; aminopyridine	metabolite
(-)-catechin	[no description available]	low	0	catechin	metabolite
dehydrocostus lactone	[no description available]	low	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug
Tormentic acid	[no description available]	low	0	triterpenoid	metabolite
pinobanksin	[no description available]	low	0	secondary alpha-hydroxy ketone; trihydroxyflavanone	antimutagen; antioxidant; metabolite
sigmoidin a	[no description available]	low	0	4'-hydroxyflavanones; tetrahydroxyflavanone	anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger
xanthosine 5'-triphosphate	[no description available]	low	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
monotropein	[no description available]	low	0	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite
glycyl-histidyl-lysine	[no description available]	low	0	tripeptide	chelator; hepatoprotective agent; metabolite; vulnerary
homoeriodictyol	[no description available]	low	0	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite
arjunolic acid	[no description available]	low	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	antibacterial agent; antifungal agent; antioxidant; metabolite
oxazolidin-2-one	[no description available]	low	0	carbamate ester; oxazolidinone	metabolite
monoethyl phthalate	[no description available]	low	0	ethyl ester; phthalic acid monoester	metabolite
methylimidazoleacetic acid	[no description available]	low	0	imidazoles; monocarboxylic acid	GABA agonist; metabolite
2-(2-aminoethyl)pyridine	[no description available]	low	0	aminoalkylpyridine; primary amine	histamine agonist; metabolite
xanthurenic acid 8-methyl ether	[no description available]	low	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
methyl orsellinate	[no description available]	low	0	hydroxybenzoic acid	metabolite
2,2-di(4-methacryloxyphenyl)propane	[no description available]	low	0	bisphenol; enoate ester	metabolite
sofosbuvir	[no description available]	low	0	aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone	metabolite
3-methyluracil	[no description available]	low	0	nucleobase analogue; pyrimidone	metabolite
1-methylcytosine	[no description available]	low	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
leucyl-alanine	[no description available]	low	0	dipeptide	metabolite
leucyl-leucyl-leucine	[no description available]	low	0	tripeptide	metabolite
3,4-dihydroxyphenylethanol	[no description available]	low	0	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite
3,7-dimethyluric acid	[no description available]	low	0	oxopurine	metabolite; mouse metabolite
alanylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
d-biotin-d-sulfoxide	[no description available]	low	0	biotins; sulfoxide	metabolite
biotin sulfone	[no description available]	low	0	biotins; sulfone	metabolite
asperuloside	[no description available]	low	0	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite
primin	[no description available]	low	0	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite
2-(hydroxymethyl)anthraquinone	[no description available]	low	0	anthraquinone	metabolite
tyrosylleucine	[no description available]	low	0	dipeptide	metabolite
o-methylserine	[no description available]	low	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	metabolite
cinchonine	[no description available]	low	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
aucubin	[no description available]	low	0	organic molecular entity	metabolite
catalpol	[no description available]	low	0	organic molecular entity	metabolite
3,4-dihydroxyphenylglycol	[no description available]	low	0	catechols; tetrol	metabolite; mouse metabolite
2-methylhistamine	[no description available]	low	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
2-methylhippuric acid	[no description available]	low	0	N-acylglycine	metabolite
taraxerol	[no description available]	low	0	pentacyclic triterpenoid; secondary alcohol	metabolite
alpha-peltatin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite
3-acetyllupeol	[no description available]	low	0	organic molecular entity	metabolite
lupenone	[no description available]	low	0	triterpenoid	metabolite
glycyltryptophan	[no description available]	low	0	dipeptide	metabolite
monocerin	[no description available]	low	0	hydroxybenzoic acid	metabolite
propionyl-coenzyme a	[no description available]	low	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
alpha-hydroxyisocaproic acid	[no description available]	low	0	2-hydroxy fatty acid; branched-chain fatty acid	metabolite
taraxerone	[no description available]	low	0	scalarane sesterterpenoid	metabolite
prunin protein, prunus	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite
uvaol	[no description available]	low	0	triterpenoid	metabolite
glycyltyrosine	[no description available]	low	0	dipeptide	metabolite
glycylleucine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
alanyltyrosine	[no description available]	low	0	dipeptide	metabolite
glycyl-l-phenylalanine	[no description available]	low	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
digoxigenin-mono(digitoxoside)	[no description available]	low	0	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite
thiazolidine-4-carboxylic acid, (r)-isomer	[no description available]	low	0	thiazolidinemonocarboxylic acid; thioproline	geroprotector; metabolite
5,6-dihydrothymine	[no description available]	low	0	pyrimidone	human metabolite; metabolite; mouse metabolite
dehydroabietic acid	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
palmitone	[no description available]	low	0	dialkyl ketone	anticonvulsant; metabolite
1-methylthymine	[no description available]	low	0	methylthymine	metabolite
imidazoleacetic acid	[no description available]	low	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
1-methylguanosine	[no description available]	low	0	methylguanosine	metabolite
alanylphenylalanine	[no description available]	low	0	dipeptide	metabolite
murrayanine	[no description available]	low	0	carbazoles	metabolite
girinimbine	[no description available]	low	0	carbazoles	metabolite
tryptophylglycine	[no description available]	low	0	dipeptide	metabolite
canthin-6-one	[no description available]	low	0	enone; indole alkaloid; organic heterotetracyclic compound	antimycobacterial drug; metabolite
glycylaspartic acid	[no description available]	low	0	dipeptide	metabolite
4-methylhippuric acid	[no description available]	low	0	N-acylglycine	metabolite
delta(9)-tetrahydrocannabinolic acid	[no description available]	medium	0	benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide	anti-inflammatory agent; biomarker; metabolite; neuroprotective agent
3-methylhippuric acid	[no description available]	low	0	N-acylglycine	metabolite
n-glycylglutamic acid	[no description available]	low	0	dipeptide	metabolite
n-caproylglycine	[no description available]	low	0	N-acylglycine	metabolite
diosgenin	[no description available]	low	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
s-2-aminoethyl cysteine	[no description available]	low	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor
4-hydroxycyclophosphamide	[no description available]	low	0	nitrogen mustard; organochlorine compound; phosphorodiamide	alkylating agent; metabolite
alpha-glutamyltryptophan	[no description available]	low	0	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite
malabaricone c	[no description available]	low	0	butanone	metabolite
loliolide	[no description available]	low	0	benzofurans	metabolite
tuberostemonine	[no description available]	low	0	alkaloid	metabolite
pyrrole-3-carboxylic acid	[no description available]	low	0	pyrrolecarboxylic acid	metabolite; Penicillium metabolite
histidylglycine	[no description available]	low	0	dipeptide	metabolite
histidinoalanine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
cinchonidine	[no description available]	low	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
quillaic acid	[no description available]	low	0	aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite
p-methoxy-n-methylphenethylamine	[no description available]	low	0	aromatic ether; secondary amino compound	metabolite
ecgonine methyl ester	[no description available]	low	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
n-acetylcytidine	[no description available]	low	0	acetamides; cytidines; secondary carboxamide	metabolite
4-hydroxydebrisoquin	[no description available]	low	0	carboxamidine; isoquinolines; secondary alcohol	metabolite
hypotaurine	[no description available]	low	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
hc toxin	[no description available]	low	0	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin
epicatechin gallate	[no description available]	low	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
versiconal hemiacetal acetate	[no description available]	low	0	acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol	metabolite
selenodiglutathione	[no description available]	low	0	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite
coprine	[no description available]	low	0	cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin
aristolochic acid ii	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
exp3174	[no description available]	low	0	biphenylyltetrazole; imidazoles; organochlorine compound	metabolite
ribonolactone	[no description available]	low	0	butan-4-olide; ribonolactone	metabolite
sulfamethoxazole hydroxylamine	[no description available]	low	0	isoxazoles; sulfonamide	allergen; metabolite
androsterone glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
tephrosin	[no description available]	low	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide
sapintoxin d	[no description available]	low	0	phorbol ester; tertiary alpha-hydroxy ketone	fluorescent probe; metabolite
amarogentin	[no description available]	low	0	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite
taraxasterol	[no description available]	low	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory agent; metabolite
asiatic acid	[no description available]	low	0	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
flavoglaucin	[no description available]	low	0	hydroquinones	metabolite
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone	[no description available]	low	0	benzofurans	metabolite
dioscin	[no description available]	low	0	hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative	anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite
maculosin	[no description available]	low	0	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite
n(4)-methylcytosine	[no description available]	low	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
n-acetylputrescine	[no description available]	low	0	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite
4'-demethylpodophyllotoxin	[no description available]	low	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite
lysicamine	[no description available]	low	0	alkaloid antibiotic; oxoaporphine alkaloid	metabolite
celastrol	[no description available]	low	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
procyanidin b2	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	antioxidant; metabolite
aromadedrin	[no description available]	low	0	4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone	metabolite
3-methylthymine	[no description available]	low	0	methylthymine; pyrimidone	metabolite
tyrosyl-glycyl-glycine	[no description available]	low	0	tripeptide zwitterion; tripeptide	metabolite
cyclic adp-ribose	[no description available]	low	0	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist
glycylglutamine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite; protective agent
alanylglutamine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
naadp	[no description available]	low	0	nicotinic acid dinucleotide	calcium channel agonist; metabolite; signalling molecule
procyanidin b5	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	metabolite
proanthocyanidin a2	[no description available]	low	0	hydroxyflavan; proanthocyanidin	angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite
dihydrosanguinarine	[no description available]	low	0	benzophenanthridine alkaloid	antifungal agent; metabolite
tetrahydrocurcumin	[no description available]	low	0	beta-diketone; diarylheptanoid; polyphenol	metabolite
eriodictyol 7-glucuronide	[no description available]	low	0	3'-hydroxyflavonoid; beta-D-glucosiduronic acid	EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite
beta-lipotropin, gln(9)-	[no description available]	low	0	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite
4-nitrososulfamethoxazole	[no description available]	low	0	isoxazoles; nitroso compound; sulfonamide	allergen; metabolite
protosappanin a	[no description available]	low	0	catechols	metabolite
3,3'-neotrehalosadiamine	[no description available]	low	0	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite
salvinorin a	[no description available]	low	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
cyanidin	[no description available]	low	0	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent
yakuchinone-a	[no description available]	low	0	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
marsupsin	[no description available]	low	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite
6,6'-bieckol	[no description available]	low	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
3-methylcytosine	[no description available]	low	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
eckol	[no description available]	low	0	phlorotannin	antioxidant; metabolite
procyanidin b3	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite
aclacinomycin	[no description available]	low	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
phenylalanylarginine	[no description available]	low	0	dipeptide	metabolite
prolylarginine	[no description available]	low	0	dipeptide	metabolite
5-methoxytryptophan	[no description available]	low	0	L-alpha-amino acid zwitterion; L-tryptophan derivative	metabolite
phenylalanylglutamate	[no description available]	low	0	dipeptide	metabolite
aspartylglycine	[no description available]	low	0	dipeptide	metabolite
aspartylglutamate	[no description available]	low	0	dipeptide	metabolite
5-hydroxypipecolic acid	[no description available]	low	0	piperidinemonocarboxylic acid	metabolite
prolyl-tyrosine	[no description available]	low	0	dipeptide	metabolite
histidylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
phenylalanyl-glycyl-glycine	[no description available]	low	0	tripeptide	metabolite
leucylarginine	[no description available]	low	0	dipeptide	metabolite
pendolmycin	[no description available]	low	0	indoles	metabolite
atractylenolide iii	[no description available]	low	0	naphthofuran	metabolite
malvidin	[no description available]	low	0	5-hydroxyanthocyanidin	biological pigment; metabolite
5-hydroxytryptoline	[no description available]	low	0	beta-carbolines	metabolite
perlolyrine	[no description available]	low	0	organic molecular entity	metabolite
endocrocin	[no description available]	low	0	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite
sulochrin	[no description available]	low	0	benzophenones; carboxylic ester; phenols	metabolite
i-677	[no description available]	low	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite
isohomovanillic acid	[no description available]	low	0	aromatic ether; phenols; phenylacetic acids	metabolite
4-amino-2-methoxypyrimidine	[no description available]	low	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite
asimilobine	[no description available]	low	0	aporphine alkaloid	metabolite
aristolochic acid D	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
leukodopachrome	[no description available]	low	0	hydroxy monocarboxylic acid; indoles	metabolite
ampelopsin	[no description available]	low	0	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite
2,4,5-trihydroxypentanoic acid gamma-lactone	[no description available]	low	0	ribonolactone	metabolite
hydroxysitosterol	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite
jolkinolide a	[no description available]	low	0	diterpene lactone	metabolite
jolkinolide b	[no description available]	low	0	diterpene lactone	metabolite
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine	[no description available]	low	0	1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0	metabolite
isovitexin	[no description available]	low	0	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
dopamine quinone	[no description available]	low	0	1,2-benzoquinones; primary amino compound	metabolite
platycodin d	[no description available]	low	0	triterpenoid saponin	metabolite
frenolicin b	[no description available]	low	0	benzoisochromanequinone; p-quinones	metabolite
4-oxopentanal	[no description available]	low	0	ketoaldehyde	metabolite
my 12-62c	[no description available]	low	0	monohydroxyquinoline; quinolone	antibacterial agent; iron chelator; metabolite; signalling molecule
3,4-dihydroxyphenylpyruvic acid	[no description available]	low	0	2-oxo monocarboxylic acid	metabolite
proximadiol	[no description available]	low	0	eudesmane sesquiterpenoid	metabolite
aristolochic acid c	[no description available]	low	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
phenylacetyl-coenzyme a	[no description available]	low	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
taxusin	[no description available]	low	0	acetate ester; carbotricyclic compound; taxane diterpenoid	metabolite
confertin	[no description available]	low	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
beta-methylcrotonylglycine	[no description available]	low	0	N-acylglycine	metabolite
tracheloside	[no description available]	low	0	glycoside; lignan	metabolite
maytenonic acid	[no description available]	low	0	triterpenoid	metabolite
procyanidin C1	[no description available]	low	0	hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite
3-methyleneindolenine	[no description available]	low	0	indoles	metabolite
isopulegol	[no description available]	low	0	p-menthane monoterpenoid	metabolite
kadsurin	[no description available]	low	0	tannin	metabolite
lysylproline	[no description available]	low	0	dipeptide	metabolite
5-o-methylembelin	[no description available]	low	0	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite
dihydrodaidzein	[no description available]	low	0	hydroxyisoflavanone	metabolite
4'-o-methylepigallocatechin	[no description available]	low	0	catechin	metabolite
corynoline	[no description available]	low	0	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite
limonin	[no description available]	low	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
brevianamide f	[no description available]	low	0	dipeptide; indoles; pyrrolopyrazine	metabolite
ergolide	[no description available]	low	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite
4-sulfocatechol	[no description available]	low	0	dihydroxybenzenesulfonic acid	metabolite
histidylleucine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
7-methoxyheptaphylline	[no description available]	low	0	carbazoles	metabolite
phenylalanylserine	[no description available]	low	0	dipeptide	metabolite
phellamurin	[no description available]	low	0	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite
prolylglutamic acid	[no description available]	low	0	dipeptide	metabolite
nantenine	[no description available]	low	0	oxoaporphine alkaloid	metabolite
hydrastine	[no description available]	low	0	isoquinolines	metabolite
butyrylcarnitine	[no description available]	low	0	O-butanoylcarnitine; saturated fatty acyl-L-carnitine	metabolite
2-hydroxyestradiol	[no description available]	low	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
aromaticin	[no description available]	low	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
acivicin	[no description available]	low	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
n-methylcorydaldine	[no description available]	low	0	quinolone	metabolite
2-amino-3,3-dimethylbutanoic acid	[no description available]	low	0	non-proteinogenic alpha-amino acid	metabolite
pentabromopseudilin	[no description available]	low	0	pyrroles	metabolite
rocaglamide	[no description available]	low	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
dentatin	[no description available]	low	0	coumarins	metabolite
acronine	[no description available]	low	0	acridone derivatives; alkaloid	antineoplastic agent; metabolite
enmein	[no description available]	low	0	delta-lactone	metabolite
5-aminonicotinic acid	[no description available]	low	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
pomolic acid	[no description available]	low	0	triterpenoid	metabolite
aglafoline	[no description available]	low	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
isomaltose	[no description available]	low	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
deoxyglucose	[no description available]	low	0	2-deoxy-D-glucose	metabolite
vestitone	[no description available]	low	0	(3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone	antibacterial agent; metabolite
pantetheine	[no description available]	low	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
salicin	[no description available]	low	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
taxifolin	[no description available]	low	0	taxifolin	metabolite
n-formylmethionine	[no description available]	low	0	L-methionine derivative; N-formyl amino acid; proteinogenic amino acid	metabolite
fucose	[no description available]	low	0	deoxygalactose	metabolite
saponarin	[no description available]	low	0	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite
hippeastrine	[no description available]	low	0	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite
cyanidin 3-o-beta-d-glucopyranoside	[no description available]	low	0	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite
silychristin	[no description available]	low	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger
peonidin	[no description available]	low	0	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite
convallatoxin	[no description available]	low	0	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent
furostanol i	[no description available]	low	0	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite
decursinol	[no description available]	low	0	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
abyssinone v	[no description available]	low	0	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite
davidigenin	[no description available]	low	0	dihydrochalcones; polyphenol	anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite
farrerol	[no description available]	low	0	organic molecular entity	metabolite
naringin	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
isonaringin	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite
cleomiscosin a	[no description available]	low	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
vicenin ii	[no description available]	low	0	C-glycosyl compound; trihydroxyflavone	metabolite
eugeniin	[no description available]	low	0	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
knipholone	[no description available]	low	0	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite
alpha bitter acid	[no description available]	low	0	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite
acanthoside b	[no description available]	low	0	beta-D-glucoside	metabolite
chlorpromazine n-oxide	[no description available]	low	0	organochlorine compound; phenothiazines; tertiary amine oxide	metabolite
3-hydroxyaspartic acid, (threo-l)-isomer	[no description available]	low	0	3-hydroxy-L-aspartic acid	metabolite
cyclo(l-phe-l-pro)	[no description available]	low	0	organic molecular entity	metabolite
pyochelin	[no description available]	low	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
surfactin c	[no description available]	low	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant
petunidin-3-glucoside	[no description available]	low	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite
malvidin-3-glucoside	[no description available]	low	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
dioncophylline a	[no description available]	low	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
dioncophylline c	[no description available]	low	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
latrunculin a	[no description available]	low	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
aglucovancomycin b	[no description available]	low	0	cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol	metabolite
(S)-ATPA	[no description available]	low	0	isoxazoles; non-proteinogenic L-alpha-amino acid	metabolite
epothilone a	[no description available]	low	0	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator
alitretinoin	[no description available]	low	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
isoleucylvaline	[no description available]	low	0	dipeptide	metabolite
afimoxifene	[no description available]	low	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
3-hydroxyhippuric acid	[no description available]	low	0	N-acylglycine; phenols	metabolite
12-deoxyphorbol 13-acetate	[no description available]	low	0	phorbol ester	metabolite
conidendrin	[no description available]	low	0	lignan	metabolite
bevirimat	[no description available]	low	0	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite
azaserine	[no description available]	low	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
16beta,17-dihydroxy-ent-kaurane-19-oic acid	[no description available]	low	0	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite
glycyrin	[no description available]	low	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
reynosin	[no description available]	low	0	organic heterotricyclic compound; sesquiterpene lactone	metabolite
moronic acid	[no description available]	low	0	pentacyclic triterpenoid	anti-HIV agent; anti-HSV-1 agent; metabolite
maltitol	[no description available]	low	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
Phe-Tyr	[no description available]	low	0	dipeptide	metabolite
2-acetyl-1-pyrroline	[no description available]	low	0	acylimine; methyl ketone; pyrroline	flavouring agent; Maillard reaction product; metabolite
methyl indole-3-carboxylate	[no description available]	low	0	indoles; methyl ester	metabolite
camalexin	[no description available]	low	0	1,3-thiazoles; indole phytoalexin	metabolite
komaroviquinone	[no description available]	low	0	bridged compound; lactol; p-quinones; tetracyclic diterpenoid	metabolite; trypanocidal drug
2-hydroxycinnamic acid	[no description available]	low	0	2-coumaric acid; phenols	antioxidant; metabolite
16-epivincamine	[no description available]	low	0	alkaloid	metabolite
diethyl fumarate	[no description available]	low	0	diester	metabolite
isoliquiritigenin	[no description available]	low	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
1-acetyl-beta-carboline	[no description available]	low	0	harmala alkaloid	metabolite
propolin c	[no description available]	low	0	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger
xanthohumol	[no description available]	low	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
butylidenephthalide	[no description available]	low	0	2-benzofurans; gamma-lactone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite
malonyl coenzyme a	[no description available]	low	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
imidazol-1-ylacetic acid	[no description available]	low	0	imidazolyl carboxylic acid	metabolite
captax	[no description available]	low	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
n-acetyltryptophan	[no description available]	low	0	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite
cinnamoylglycine	[no description available]	low	0	N-acylglycine	metabolite
n-benzoylalanine	[no description available]	low	0	N-acyl-L-alanine; N-benzoylalanine	metabolite
isoferulic acid	[no description available]	low	0	ferulic acids	antioxidant; biomarker; metabolite
oxypeucadanin, (r)-(+)-isomer	[no description available]	low	0	furanocoumarin	metabolite
curcumin	[no description available]	low	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
thiouracil	[no description available]	low	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
allylthiourea	[no description available]	low	0	thioureas	metabolite
n-glycylalanine	[no description available]	low	0	dipeptide	metabolite
caryophyllene oxide	[no description available]	low	0	epoxide	metabolite
fumonisin b1	[no description available]	low	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
olivetolic acid	[no description available]	low	0	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite
hirsutine, (16e,20beta)-isomer	[no description available]	low	0	alkaloid	metabolite
Ganodermanontriol	[no description available]	low	0	triterpenoid	metabolite
dieckol	[no description available]	low	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger
glycylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
tamoxifen n-oxide	[no description available]	low	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite
7-deacetylgedunin	[no description available]	low	0	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite
galactose-6-phosphate	[no description available]	low	0	D-galactose 6-phosphate	metabolite
nicotine n-glucuronide	[no description available]	low	0	iminium betaine; N-glycosylpyridine	metabolite
isorhyncophylline	[no description available]	low	0	indolizines	metabolite
cysteinylproline	[no description available]	low	0	dipeptide	metabolite
glycyllysine	[no description available]	low	0	dipeptide	metabolite
methionyltryptophan	[no description available]	low	0	dipeptide	metabolite
ascorbigen	[no description available]	low	0	indolyl carbohydrate	metabolite
pimeloyl-coenzyme a	[no description available]	low	0	omega-carboxyacyl-CoA	metabolite
1-salicylate glucuronide	[no description available]	low	0	benzoic acids; beta-D-glucosiduronic acid	metabolite
isoschaftoside	[no description available]	low	0	C-glycosyl compound; trihydroxyflavone	metabolite
croomine	[no description available]	low	0	alkaloid	metabolite
3-hydroxyflavanone	[no description available]	low	0	3'-hydroxyflavanones; monohydroxyflavanone	metabolite
ungeremine	[no description available]	low	0	organic molecular entity	metabolite
seryl-proline	[no description available]	low	0	dipeptide	metabolite
4-hydroxy-5-methyl-3(2h)-furanone	[no description available]	low	0	cyclic ketone; enol; furans	metabolite
annomontine	[no description available]	low	0	alkaloid; aminopyrimidine; beta-carbolines	antiparasitic agent; metabolite
8-hydroxymanzamine a	[no description available]	low	0	alkaloid; beta-carbolines; isoquinolines	anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite
ginkgetin	[no description available]	low	0	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
calceolarioside b	[no description available]	low	0	hydroxycinnamic acid	metabolite
eupatilin	[no description available]	low	0	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
quercetin 3-o-glucuronide	[no description available]	low	0	beta-D-glucosiduronic acid; quercetin O-glycoside	antidepressant; antioxidant; metabolite
australifungin	[no description available]	low	0	carbobicyclic compound; enol; enone; secondary alcohol	antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite
catechin gallate	[no description available]	low	0	flavans; gallate ester; polyphenol	metabolite
sterigmatocystin	[no description available]	low	0	sterigmatocystins	metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone	[no description available]	low	0	dimethoxyflavone; trihydroxyflavone	EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
apigenin	[no description available]	low	0	trihydroxyflavone	antineoplastic agent; metabolite
7,3'-dihydroxy-4'-methoxyisoflavone	[no description available]	low	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
calcitriol	[no description available]	low	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
vomifoliol	[no description available]	low	0	(6S)-vomifoliol	metabolite; phytotoxin
feruloyltyramine	[no description available]	low	0	tyramines	metabolite
luteolin-7-glucuronide	[no description available]	low	0	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite
chrysoeriol	[no description available]	low	0	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite
quercetin 3-o-methyl ether	[no description available]	low	0	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite
dexmedetomidine	[no description available]	low	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite
apigetrin	[no description available]	low	0	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug
rutin	[no description available]	low	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
6-ketoprostaglandin e1	[no description available]	low	0	prostaglandins E	metabolite; platelet aggregation inhibitor
lipoxin a4	[no description available]	low	0	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite
harmine	[no description available]	low	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
naringenin chalcone	[no description available]	low	0	chalcones; polyphenol	anti-allergic agent; anti-inflammatory agent; metabolite
cornexistin	[no description available]	low	0	cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone	herbicide; metabolite
isobavachalcone	[no description available]	low	0	chalcones; polyphenol	antibacterial agent; metabolite; platelet aggregation inhibitor
daphnoretin	[no description available]	low	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite
Rhynchophylline	[no description available]	low	0	indolizines	metabolite
esculin	[no description available]	low	0	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite
mammeisin	[no description available]	low	0	neoflavonoid	metabolite
ostruthin	[no description available]	low	0	terpene lactone	metabolite
costunolide	[no description available]	low	0	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite
phaseic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid	metabolite
agathisflavone	[no description available]	low	0	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite
cupressuflavone	[no description available]	low	0	biflavonoid; hydroxyflavone; ring assembly	EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger
fisetin	[no description available]	low	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
genkwanin	[no description available]	low	0	dihydroxyflavone; monomethoxyflavone	metabolite
bellidifolin	[no description available]	low	0	polyphenol; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite
demethylbellidifolin	[no description available]	low	0	tetrol; xanthones	antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger
hinokiflavone	[no description available]	low	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent
euxanthone	[no description available]	low	0	phenols; xanthones	metabolite; plant metabolite
3-methylquercetin	[no description available]	low	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
norswertianolin	[no description available]	low	0	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
swerchirin	[no description available]	low	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
isoscutellarein	[no description available]	low	0	tetrahydroxyflavone	metabolite
kaempferide	[no description available]	low	0	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite
morin	[no description available]	low	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
norwogonin	[no description available]	low	0	trihydroxyflavone	antioxidant; metabolite
orientin	[no description available]	low	0	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite
patuletin	[no description available]	low	0	flavonols; monomethoxyflavone; pentahydroxyflavone	analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite
rhamnetin	[no description available]	low	0	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite
robustaflavone	[no description available]	low	0	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite
scutellarein	[no description available]	low	0	tetrahydroxyflavone	metabolite
tamarixetin	[no description available]	low	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite
tricetin	[no description available]	low	0	pentahydroxyflavone	antineoplastic agent; metabolite
tricin	[no description available]	low	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
astringin	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite
polydatin	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
epsilon-viniferin	[no description available]	low	0	1-benzofurans; polyphenol; stilbenoid	metabolite
irilone	[no description available]	low	0	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite
caffeic acid phenethyl ester	[no description available]	low	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
licoisoflavone a	[no description available]	low	0	7-hydroxyisoflavones	metabolite
prunetin	[no description available]	low	0	7-methoxyisoflavones; hydroxyisoflavone	anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
wedelolactone	[no description available]	low	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
rottlerin	[no description available]	low	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
syringetin	[no description available]	low	0	3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone	metabolite; platelet aggregation inhibitor
10-deoxymethynolide	[no description available]	low	0	macrolide	metabolite
4',7-dihydroxyflavone	[no description available]	low	0	dihydroxyflavone	metabolite
rhoifolin	[no description available]	low	0	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite
veronicastroside	[no description available]	low	0	disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone	antibacterial agent; metabolite
quercimeritrin	[no description available]	low	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite
josamycin	[no description available]	low	0	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite
n,n-dimethylsphingenine	[no description available]	low	0	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite
4-hydroxyestradiol	[no description available]	low	0	4-hydroxy steroid	metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
9-oxo-10,12-octadecadienoic acid	[no description available]	low	0	enone; oxooctadecadienoic acid	metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	13-oxo-9,11-octadecadienoic acid; oxo fatty acid	metabolite
13,14-dihydro-15-ketoprostaglandin d2	[no description available]	low	0	prostaglandins D	metabolite
15-keto-13,14-dihydroprostaglandin f2alpha	[no description available]	low	0	ketone; prostaglandins Falpha	metabolite
2,3-dinor-6-ketoprostaglandin f1alpha	[no description available]	low	0	4-oxo monocarboxylic acid; prostanoid; secondary alcohol	metabolite
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer	[no description available]	low	0	3beta-sterol	anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite
calcifediol	[no description available]	low	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
cyclosporine	[no description available]	low	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
oleyl alcohol	[no description available]	low	0	fatty alcohol 18:1; long-chain primary fatty alcohol	metabolite; nonionic surfactant
fortimicin a	[no description available]	low	0	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite
3',4',7-trihydroxyisoflavone	[no description available]	low	0	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
6,7,4'-trihydroxyisoflavone	[no description available]	low	0	7-hydroxyisoflavones	anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist
15-deoxy-delta(12,14)-prostaglandin j2	[no description available]	low	0	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
cytochalasin b	[no description available]	low	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
ciguatoxins	[no description available]	low	0	ciguatoxin	metabolite
12-hydroxy-5,8,10-heptadecatrienoic acid	[no description available]	low	0	hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid	metabolite
bisdemethoxycurcumin	[no description available]	low	0	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
clausine e	[no description available]	low	0	carbazoles	metabolite
ethyl caffeate	[no description available]	low	0	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite
heptaphylline	[no description available]	low	0	carbazoles	metabolite
pellitorine	[no description available]	low	0	fatty amide	metabolite
andrographolide	[no description available]	low	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
isorhamnetin-3-o-galactoside	[no description available]	low	0	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
isorhamnetin 3-o-glucoside	[no description available]	low	0	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
kaempferol-3-o-rutinoside	[no description available]	low	0	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
ligustilide	[no description available]	low	0	butenolide	metabolite
7,4'-dihydroxy-3'-methoxyisoflavone	[no description available]	low	0	7-hydroxyisoflavones; methoxyisoflavone	antiplasmodial drug; metabolite
sappanchalcone	[no description available]	low	0	catechols; chalcones; monomethoxybenzene	anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite
methyl brevifolincarboxylate	[no description available]	low	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
3-deoxysappanchalcone	[no description available]	low	0	chalcones; monomethoxybenzene; phenols	metabolite
nostocarboline	[no description available]	low	0	alkaloid; beta-carbolines; organic cation; organochlorine compound	antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
ergosterol-5,8-peroxide	[no description available]	low	0	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide	[no description available]	low	0	hydroxycinnamic acid	metabolite
macluraxanthone b	[no description available]	low	0	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite
flavokawain b	[no description available]	low	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
alternariol	[no description available]	low	0	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin
cis-3-hexenyl acetate	[no description available]	low	0	acetate ester; olefinic compound	metabolite
pipercallosidine	[no description available]	low	0	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide	[no description available]	low	0	hydroxycinnamic acid	metabolite
7-hydroxyisoflavone	[no description available]	low	0	7-hydroxyisoflavones	EC 1.14.14.14 (aromatase) inhibitor; metabolite
flazin	[no description available]	low	0	harmala alkaloid	metabolite
11-hydroxynoracronycine	[no description available]	low	0	acridines	metabolite
jaceosidin	[no description available]	low	0	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	[no description available]	low	0	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite
salutaridine	[no description available]	low	0	morphinane alkaloid	anti-HBV agent; metabolite
cytochalasin e	[no description available]	low	0	cytochalasan alkaloid	metabolite
artocarpin lectin	[no description available]	low	0	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite
fumarates	[no description available]	low	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
bleomycin	[no description available]	low	0	bleomycin	antineoplastic agent; metabolite
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
demethoxycurcumin	[no description available]	low	0	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite
bergamottin	[no description available]	low	0	furanocoumarin	metabolite
alanyl-alanyl-alanine	[no description available]	low	0	tripeptide	metabolite
24-ethyl-4-cholesten-3-one	[no description available]	low	0	C29-steroid; steroid	metabolite
myricetin 3-o-glucuronide	[no description available]	low	0	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite
phenylalanylalanine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
alpinumisoflavone	[no description available]	low	0	isoflavanones	metabolite
alpha-aspartylalanine	[no description available]	low	0	dipeptide	metabolite
arglabin	[no description available]	low	0	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite
ap 10	[no description available]	low	0	diterpene lactone	metabolite
quercetin 7-rhamnoside	[no description available]	low	0	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite
albonoursin	[no description available]	low	0	2,5-diketopiperazines	metabolite
oroidin	[no description available]	low	0	pyrroles; secondary carboxamide	metabolite
monorden	[no description available]	low	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
apratoxin a	[no description available]	low	0	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite
(-)-catechin-3-O-gallate	[no description available]	low	0	flavans; gallate ester; polyphenol	metabolite
aspartyllysine	[no description available]	low	0	dipeptide	metabolite
arginyllysine	[no description available]	low	0	dipeptide	metabolite
hygromycin a	[no description available]	low	0	hydroxycinnamic acid	metabolite
latrunculin b	[no description available]	low	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
falcarindiol	[no description available]	low	0	organic molecular entity	metabolite
dehydroergosterol	[no description available]	low	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	biomarker; metabolite
n-oleoylglycine	[no description available]	low	0	fatty amide; N-acylglycine 18:1	metabolite
rhizoxin	[no description available]	low	0	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite
manoalide	[no description available]	low	0	butenolide; lactol; sesterterpenoid	EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite
concanamycin a	[no description available]	low	0	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	low	0	enoate ester; methyl ester; monocarboxylic acid amide	metabolite
thunberginol f	[no description available]	low	0	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite
pyracrenic acid	[no description available]	low	0	triterpenoid	metabolite
eicosa-11,14-dienoic acid, (z,z)-isomer	[no description available]	low	0	icosadienoic acid	metabolite
yuanhuadine	[no description available]	medium	0	diterpenoid	metabolite
tiglylglycine	[no description available]	low	0	N-acylglycine	metabolite
rhodiocyanoside a	[no description available]	low	0	aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative	anti-allergic agent; metabolite
(2E,4E)-N-isobutyl-2,4-dodecadienamide	[no description available]	low	0	fatty amide	metabolite
mycothiazole	[no description available]	low	0	thiazoles	metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite
linderalactone	[no description available]	low	0	butenolide	metabolite
pros-methylimidazoleacetic acid	[no description available]	low	0	imidazolyl carboxylic acid	metabolite
cellobionic acid	[no description available]	low	0	carbohydrate acid; disaccharide	metabolite
pseudopteroxazole	[no description available]	low	0	tetralins	metabolite
sophoraflavanone a	[no description available]	low	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite
panduratin a	[no description available]	low	0	diarylheptanoid	metabolite
stigmasterol 3-o-beta-d-glucopyranoside	[no description available]	low	0	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite
17-hydroxyjolkinolide b	[no description available]	low	0	diterpene lactone	metabolite
sq-23377	[no description available]	low	0	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
corosolic acid	[no description available]	low	0	triterpenoid	metabolite
cyclo(prolyl-valyl)	[no description available]	low	0	piperazinone	metabolite
phenylalanylglycine	[no description available]	low	0	dipeptide	metabolite
leucyl-phenylalanine	[no description available]	low	0	dipeptide	metabolite
glutamylalanine	[no description available]	low	0	dipeptide	metabolite
glutaminyl-glycine	[no description available]	low	0	dipeptide	metabolite
methionylglycine	[no description available]	low	0	dipeptide	metabolite
valylleucine	[no description available]	low	0	dipeptide	metabolite
phenylalanyl-valine	[no description available]	low	0	dipeptide	metabolite
cyclo(glycyltryptophyl)	[no description available]	low	0	indoles	metabolite
alanylglycine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
valyltyrosine	[no description available]	low	0	dipeptide	metabolite
alpha-glutamyltryptophan	[no description available]	low	0	dipeptide	metabolite
lysylglutamic acid	[no description available]	low	0	dipeptide	metabolite
methionylglutamic acid	[no description available]	low	0	dipeptide	metabolite
seryl-histidine	[no description available]	low	0	dipeptide	metabolite
arginyl-glutamine	[no description available]	low	0	dipeptide	metabolite
phenylalanylproline	[no description available]	low	0	dipeptide	metabolite
lysylglycine	[no description available]	low	0	dipeptide	metabolite
glycylhistidine	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
kopsinine	[no description available]	low	0	indole alkaloid	metabolite
cyclo(leucyl-phenylalanyl)	[no description available]	low	0	2,5-diketopiperazines	metabolite
prolylisoleucine	[no description available]	low	0	dipeptide	metabolite
isoleucyl-tyrosine	[no description available]	low	0	dipeptide	metabolite
prolyl-serine	[no description available]	low	0	dipeptide	metabolite
grayanotoxin i	[no description available]	low	0	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin
19-norandrosterone	[no description available]	low	0	17-oxo steroid	metabolite
s-allylcysteine	[no description available]	low	0	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite
oleandrigenin	[no description available]	low	0	14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
valyl-prolyl-proline	[no description available]	low	0	tripeptide	metabolite
prolylvaline	[no description available]	low	0	dipeptide	metabolite
palbinone	[no description available]	low	0	16-oxo steroid	metabolite
pseurotin	[no description available]	low	0	azaspiro compound; lactam; oxaspiro compound	metabolite
gambogic acid	[no description available]	low	0	pyranoxanthones	metabolite
xenovulene a	[no description available]	low	0	cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid	GABA antagonist; metabolite
fr 148083	[no description available]	low	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
LL-Z1640-1	[no description available]	low	0	macrolide; resorcinols	metabolite
9-methoxycanthin-6-one	[no description available]	low	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
n-acetylcarnosine	[no description available]	low	0	dipeptide	metabolite
cholest-5-en-3-one	[no description available]	low	0	3-oxo-Delta(5)-steroid; cholestanoid	metabolite
kaempferol 3-O-beta-L-glucopyranoside	[no description available]	low	0	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite
rubraxanthone	[no description available]	low	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite
ubiquinol	[no description available]	low	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
landomycin a	[no description available]	low	0	oligosaccharide	metabolite
ancistroealaine a	[no description available]	low	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
cerberin	[no description available]	low	0	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite
actein	[no description available]	low	0	triterpenoid	metabolite
araloside a	[no description available]	low	0	triterpenoid saponin	metabolite
ageladine a	[no description available]	low	0	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite
corynoxine b	[no description available]	low	0	indolizines	metabolite
kaempferol 7-o-glucoside	[no description available]	low	0	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
delphinidin 3-sambubioside	[no description available]	low	0	anthocyanidin 3-O-beta-D-sambubioside	apoptosis inducer; metabolite
nodosin	[no description available]	low	0	delta-lactone	metabolite
protylonolide	[no description available]	low	0	diol; enone; macrolide	metabolite
arisugacin	[no description available]	low	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite
nymphaeol c	[no description available]	low	0	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger
thonningianin a	[no description available]	low	0	tannin	metabolite
cephalostatin i	[no description available]	low	0	oxo steroid	metabolite
papyriflavonol a	[no description available]	low	0	3'-hydroxyflavonoid; flavonols; pentahydroxyflavone	EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite
lactonamycin	[no description available]	low	0	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite
myrsinoic acid b	[no description available]	low	0	1-benzofurans; monocarboxylic acid	anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite
betulone	[no description available]	low	0	triterpenoid	metabolite
eckstolonol	[no description available]	low	0	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger
manassantin b	[no description available]	low	0	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite
gitaloxin	[no description available]	low	0	cardenolide glycoside	metabolite
paeonilide	[no description available]	low	0	benzoate ester	metabolite
dihydroxanthohumol	[no description available]	low	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
corynoxine	[no description available]	low	0	indolizines	metabolite
7-phloroeckol	[no description available]	low	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	[no description available]	low	0	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite
Sphaeropsidin C	[no description available]	low	0	tricyclic diterpenoid	metabolite
kelampayoside a	[no description available]	low	0	glycoside	metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	[no description available]	low	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite
2,3-dihydro-3beta-methoxy withaferin A	[no description available]	low	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite
nigranoic acid	[no description available]	low	0	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite
esculeoside a	[no description available]	low	0	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite
aerothionin	[no description available]	low	0	isoxazoles	metabolite
artemisic acid	[no description available]	low	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	metabolite
26-deoxyactein	[no description available]	low	0	triterpenoid	metabolite
5-formylcytosine	[no description available]	low	0	aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone	metabolite
migrastatin	[no description available]	low	0	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite
Lyngbic acid	[no description available]	low	0	long-chain fatty acid	metabolite
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	[no description available]	low	0	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
bielschowskysin	[no description available]	medium	0	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite
procyanidin b1	[no description available]	low	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite
cyclo(tyrosyl-tyrosyl)	[no description available]	low	0	cyclo(tyrosyl-tyrosyl)	metabolite
spiculoic acid a	[no description available]	low	0	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite
myrocin a	[no description available]	low	0	tertiary alcohol	metabolite
3'-o-methylepicatechin	[no description available]	low	0	catechin	metabolite
episilvestrol	[no description available]	low	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
protopanaxatriol	[no description available]	low	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid	metabolite
laurinterol	[no description available]	low	0	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
Pseudopterosin G-J aglycone	[no description available]	medium	0	diterpenoid	metabolite
ceratamine a	[no description available]	low	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite
liphagal	[no description available]	low	0	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite
pulsatilla saponin d	[no description available]	low	0	triterpenoid	metabolite
diversonol	[no description available]	low	0	phenols; tertiary alcohol	antibacterial agent; metabolite
neotuberostemonine	[no description available]	low	0	alkaloid	metabolite
drymaritin	[no description available]	low	0	enol ether; enone; indole alkaloid; organic heterotetracyclic compound	anti-HIV agent; metabolite
lyoniresinol	[no description available]	low	0	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite
silvestrol	[no description available]	low	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
ginsenoside ro	[no description available]	low	0	triterpenoid saponin	metabolite
diosgenin glucoside	[no description available]	low	0	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite
pyripyropene a	[no description available]	low	0	organic heterotetracyclic compound; sesquiterpenoid	acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite
3-epioleanolic acid	[no description available]	low	0	triterpenoid	metabolite
leucylproline	[no description available]	low	0	dipeptide zwitterion; dipeptide	metabolite
R-(-)-actinodaphnine	[no description available]	low	0	aporphine alkaloid	metabolite
cytotrienin a	[no description available]	low	0	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite
methylamphotericin b	[no description available]	low	0	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite
2'-methoxykurarinone	[no description available]	low	0	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite
verproside	[no description available]	low	0	glycoside	metabolite
verminoside	[no description available]	low	0	hydroxycinnamic acid	metabolite
minecoside	[no description available]	low	0	hydroxycinnamic acid	metabolite
(R)-(+)-6',7'-dihydroxybergamottin	[no description available]	low	0	furanocoumarin	metabolite
lapidilectine b	[no description available]	low	0	indolyl carboxylic acid	metabolite
batzelladine a	[no description available]	low	0	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite
alloin	[no description available]	low	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
longipinene	[no description available]	low	0	alpha-longipinene	metabolite
parkeol	[no description available]	low	0	3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid	metabolite
rutundic acid	[no description available]	low	0	triterpenoid	metabolite
a-factor (streptomyces)	[no description available]	low	0	butan-4-olide; primary alcohol	metabolite
taraxasteryl acetate	[no description available]	low	0	triterpenoid	metabolite
chikusetsu saponin iva	[no description available]	low	0	triterpenoid saponin	metabolite
xestoaminol c	[no description available]	low	0	amino alcohol; sphingoid	metabolite
malyngamide A	[no description available]	low	0	dicarboximide	metabolite
simalikalactone D	[no description available]	low	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite
friedelane	[no description available]	low	0	triterpene	metabolite
shamixanthone	[no description available]	low	0	cyclic ketone; phenols; pyranoxanthene	metabolite
17,18-epoxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	EpETE	metabolite
chaetominine	[no description available]	low	0	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite
schweinfurthin g	[no description available]	low	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite
salmon calcitonin	[no description available]	low	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
complestatin	[no description available]	low	0	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite
neuroprotectin a	[no description available]	low	0	cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol	HIV-1 integrase inhibitor; metabolite
alx-0600	[no description available]	low	0	polypeptide	antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent
schweinfurthin f	[no description available]	low	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
antrocamphin a	[no description available]	low	0	methoxybenzenes	anti-inflammatory agent; metabolite
respirantin	[no description available]	low	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
streptobiosamine	[no description available]	low	0	amino disaccharide	metabolite
interiotherin b	[no description available]	low	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
succinyladenosine	[no description available]	low	0	adenosines; amino dicarboxylic acid; L-aspartic acid derivative	metabolite
6-tuliposide a	[no description available]	low	0	6-O-acyl-D-glucose; homoallylic alcohol	allergen; metabolite
glycochenodeoxycholate-3-sulfate	[no description available]	low	0	7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate	metabolite
wewakazole	[no description available]	low	0	cyclic peptide	metabolite
spongia-13(16),14-dien-19-oic acid	[no description available]	low	0	cyclic ether; monocarboxylic acid; tetracyclic diterpenoid	androgen antagonist; metabolite
Icariside E4	[no description available]	low	0	benzofurans	metabolite
lucidenic acid n	[no description available]	low	0	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
dihydroagarofuran	[no description available]	low	0	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite
23-epi-26-deoxyactein	[no description available]	low	0	triterpenoid	metabolite
23-hydroxybetulinic acid	[no description available]	low	0	triterpenoid	metabolite
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene	[no description available]	medium	0	diterpenoid	metabolite
bromophycolide a	[no description available]	medium	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite
2-acetamidoglucal	[no description available]	low	0	acetamides; glycal derivative	metabolite
diorcinol	[no description available]	low	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
caribenol a	[no description available]	low	0	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite
halisulfate 1	[no description available]	low	0	organic molecular entity	metabolite
6-O-feruloylcatalpol	[no description available]	low	0	hydroxycinnamic acid	metabolite
grassypeptolide	[no description available]	low	0	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite
essramycin	[no description available]	low	0	triazolopyrimidines	metabolite
ainsliadimer a	[no description available]	low	0	sesquiterpene lactone; spiro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
salvileucalin b	[no description available]	medium	0	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite
ciliatamide a	[no description available]	low	0	caprolactams; lipopeptide	antileishmanial agent; metabolite
etnangien	[no description available]	low	0	hydroxy monocarboxylic acid; macrolide antibiotic	antibacterial agent; metabolite
latrunculol a	[no description available]	low	0	macrolide	metabolite
N-trans-sinapoyltyramine	[no description available]	low	0	hydroxycinnamic acid	metabolite
lycojapodine a	[no description available]	low	0	alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound	anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
epi-maslinic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite
eoxin c4	[no description available]	low	0	eoxin; leukotriene	metabolite
brartemicin	[no description available]	low	0	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite
Majusculamide AB	[no description available]	low	0	amino acid amide	metabolite
7,8-dihydroxyflavanone	[no description available]	low	0	dihydroxyflavanone	antineoplastic agent; metabolite
antcin a	[no description available]	low	0	ergostanoid	metabolite
integric acid	[no description available]	low	0	carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid	HIV-1 integrase inhibitor; metabolite
vanilloloside	[no description available]	low	0	glycoside	metabolite
2,3-dihydro-3beta-O-sulfate withaferin A	[no description available]	low	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite
dicranin	[no description available]	low	0	acetylenic fatty acid; long-chain fatty acid; straight-chain fatty acid; trienoic fatty acid	antibacterial agent; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; metabolite
leachianone a	[no description available]	low	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite
hordatine a	[no description available]	low	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
englerin a	[no description available]	low	0	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite
monanchocidin	[no description available]	low	0	organic molecular entity	metabolite
eurycomanone	[no description available]	low	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite
sphaeropsidin a	[no description available]	low	0	gamma-lactone	metabolite
gardenoside	[no description available]	low	0	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite
landomycin d	[no description available]	low	0	anthraquinone	metabolite
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite
antcin k	[no description available]	low	0	bile acid	metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist
shizukaol B	[no description available]	low	0	triterpenoid	metabolite
shizukaol f	[no description available]	low	0	triterpenoid	metabolite
calicheamicin gamma(1)i	[no description available]	low	0	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite
staphyloxanthin	[no description available]	low	0	apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll	antioxidant; biological pigment; metabolite; virulence factor
sm 1 peptide	[no description available]	low	0	acetate ester; ergot alkaloid	metabolite
mycocyclosin	[no description available]	low	0	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite
callipeltin a	[no description available]	low	0	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite
vinylamycin	[no description available]	low	0	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite
promegestone	[no description available]	low	0	terpene lactone	metabolite
lancifodilactone g	[no description available]	low	0	cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid	anti-HIV agent; metabolite
rediocide a	[no description available]	medium	0	diterpenoid; epoxide; ortho ester; terpene lactone	insecticide; metabolite
lasiokaurin	[no description available]	low	0	kaurane diterpenoid	metabolite
longikaurin a	[no description available]	low	0	kaurane diterpenoid	metabolite
ponicidin	[no description available]	low	0	dioxanes	metabolite
(Z)-6,6',7,3'a-Diligustilide	[no description available]	low	0	butenolide	metabolite
suvanine	[no description available]	low	0	organic molecular entity	metabolite
shizukaol d	[no description available]	low	0	triterpenoid	metabolite
thailandepsin a	[no description available]	low	0	cyclodepsipeptide	metabolite
nordidemnin b	[no description available]	low	0	didemnin	metabolite
4-formylaminooxyvinylglycine	[no description available]	low	0	non-proteinogenic alpha-amino acid	metabolite
platycoside e	[no description available]	low	0	triterpenoid saponin	metabolite
leuconoxine	[no description available]	low	0	alkaloid	metabolite
epidermin	[no description available]	low	0	macrocycle; type A lantibiotic	antibacterial agent; metabolite
surfactin A	[no description available]	low	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant
myriaporone 3	[no description available]	low	0	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite
avenacoside b	[no description available]	low	0	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite
3-methylglutarylcarnitine	[no description available]	low	0	O-methylglutarylcarnitine	metabolite
pivaloylcarnitine	[no description available]	low	0	C5-acylcarnitine	metabolite
levoleucovorin	[no description available]	low	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
7,8-dihydroneopterin	[no description available]	low	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine monophosphate	[no description available]	low	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine	[no description available]	low	0	methyl ketone; pyrimidodiazepine	metabolite
dyspropterin	[no description available]	low	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
2'-o-methylguanosine	[no description available]	low	0	methylguanosine	metabolite
allopurinol riboside	[no description available]	low	0	nucleoside analogue	metabolite
norclozapine	[no description available]	low	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
7-methylguanosine	[no description available]	low	0	methylguanosine; organic cation	metabolite
3'-o-methylguanosine	[no description available]	low	0	methylguanosine	metabolite
primapterin	[no description available]	low	0	biopterins	metabolite
7-methylinosine	[no description available]	low	0	inosines; organic cation	metabolite
marineosin a	[no description available]	low	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
marineosin b	[no description available]	low	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
dehydroabietylamine	[no description available]	low	0	diterpenoid
ecabet	[no description available]	low	0	diterpenoid
taxodione	[no description available]	low	0	diterpenoid
isosteviol	[no description available]	low	0	diterpenoid
triptolide	[no description available]	low	0	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
cafestol	[no description available]	low	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
kahweol	[no description available]	low	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
terpentecin	[no description available]	low	0	carbocyclic antibiotic; diterpenoid; octahydronaphthalenes; secondary alpha-hydroxy ketone
pimaric acid	[no description available]	low	0	diterpenoid
Diterpene deriv 329	[no description available]	low	0	diterpenoid
Delcorine	[no description available]	low	0	diterpenoid
Delsoline	[no description available]	low	0	diterpenoid
lycoctonine	[no description available]	low	0	diterpenoid
carnosol	[no description available]	low	0	diterpenoid
1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol	[no description available]	low	0	diterpenoid
discodermolide	[no description available]	low	0	diterpenoid
geranylgeranic acid	[no description available]	low	0	alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid
trans-phytol	[no description available]	low	0	diterpenoid; long-chain primary fatty alcohol	algal metabolite; plant metabolite; schistosomicide drug
gardenia yellow	[no description available]	low	0	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite
norbixin	[no description available]	low	0	diterpenoid
jatrophatrione	[no description available]	low	0	diterpenoid
mezerein	[no description available]	low	0	diterpenoid
plaunotol	[no description available]	low	0	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary
suillin	[no description available]	low	0	diterpenoid
callystatin a	[no description available]	low	0	diterpenoid
resiniferatoxin	[no description available]	low	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
alloxanthin	[no description available]	low	0	diterpenoid
cannabigerolic acid	[no description available]	low	0	dihydroxybenzoic acid; diterpenoid; phytocannabinoid; polyketide; resorcinols
tocotrienols	[no description available]	low	0	diterpenoid
isorenieratene	[no description available]	low	0	carotenoid phi-end group; diterpenoid
Erinacine C	[no description available]	low	0	diterpenoid
suberosanone	[no description available]	low	0	diterpenoid
erinacine a	[no description available]	low	0	diterpenoid
diacetyl benzoyl lathyrol	[no description available]	low	0	diterpenoid
copalic acid	[no description available]	low	0	diterpenoid
n-acetyl-s-geranylgeranyl-cysteine	[no description available]	low	0	diterpenoid
cyrneine a	[no description available]	low	0	diterpenoid
phytenic acid	[no description available]	low	0	diterpenoid
kirenol	[no description available]	low	0	diterpenoid
tuberculosinol	[no description available]	low	0	diterpenoid
brasilicardin a	[no description available]	low	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
ebc-46	[no description available]	low	0	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist
cyclooctatin	[no description available]	low	0	carbotricyclic compound; diterpenoid; primary alcohol; secondary alcohol; tertiary alcohol	bacterial metabolite; EC 3.1.1.5 (lysophospholipase) inhibitor

Condition	Relationship Strength	Studies
Acne	low	1
Acne Vulgaris	low	1
Bacterial Disease	low	1
Bacterial Infection	low	1
Bacterial Infections	low	1
Benign Neoplasms	low	1
Cancer	low	1
Cerebral Infarction, Middle Cerebral Artery	low	1
Congenital Zika Syndrome	low	1
Congenital Zika Virus Infection	low	1
Disease Models, Animal	low	2
Embolic Infarction, Middle Cerebral Artery	low	1
Embolus, Middle Cerebral Artery	low	1
Extravascular Hemolysis	low	1
Fever, Zika	low	1
Haemolysis	low	1
Hemolysis	low	1
Infarction, Middle Cerebral Artery	low	1
Infection, Bacterial	low	1
Infections, Bacterial	low	1
Inflammation	low	1
Innate Inflammatory Response	low	1
Intravascular Hemolysis	low	1
Left Middle Cerebral Artery Infarction	low	1
Malignancy	low	1
Malignant Neoplasms	low	1
MCA Infarct	low	1
MCA Infarction	low	1
Middle Cerebral Artery Circulation Infarction	low	1
Middle Cerebral Artery Embolic Infarction	low	1
Middle Cerebral Artery Embolus	low	1
Middle Cerebral Artery Infarction	low	1
Middle Cerebral Artery Occlusion	low	1
Middle Cerebral Artery Stroke	low	1
Middle Cerebral Artery Syndrome	low	1
Middle Cerebral Artery Thrombosis	low	1
Middle Cerebral Artery Thrombotic Infarction	low	1
Neoplasia	low	1
Neoplasm	low	1
Neoplasms	low	1
Neoplasms, Benign	low	1
Occlusion, Middle Cerebral Artery	low	1
Peri-Implantitis	low	1
Periimplantitis	low	1
Right Middle Cerebral Artery Infarction	low	1
Stroke, Middle Cerebral Artery	low	1
Thrombosis, Middle Cerebral Artery	low	1
Thrombotic Infarction, Middle Cerebral Artery	low	1
Tumors	low	1
Zika Fever	low	1
Zika Virus Disease	low	1
Zika Virus Infection	low	1
ZikV Infection	low	1

Article	Year
Synthesis of totarol amino alcohol derivatives and their antiplasmodial activity and cytotoxicity. Bioorganic & medicinal chemistry, Oct-01, Volume: 11, Issue: 20	2003
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
The synthesis and antibacterial activity of totarol derivatives. Part 1: modifications of ring-C and pro-drugs. Bioorganic & medicinal chemistry, Volume: 7, Issue: 9	1999
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Antibacterial activity of anacardic acid and totarol, alone and in combination with methicillin, against methicillin-resistant Staphylococcus aureus. The Journal of applied bacteriology, Volume: 80, Issue: 4	1996
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

totarol

Description

Cross-References

Synonyms (31)

Research Excerpts

Overview

Roles (1)

Drug Classes (1)

Protein Targets (16)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (27)

Molecular Functions (14)

Ceullar Components (13)

Bioassays (81)

Research

Studies (48)

Study Types

Research Highlights

Safety/Toxicity (1)

Bioavailability (2)

Interactions (1)

totarol

Description

Related Flora

Cross-References

Synonyms (31)

Research Excerpts

Overview

Roles (1)

Drug Classes (1)

Protein Targets (16)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (27)

Molecular Functions (14)

Ceullar Components (13)

Bioassays (81)

Research

Studies (48)

Study Types

Related Drugs (1,092)

Related Conditions (53)

Research Highlights

Safety/Toxicity (1)

Bioavailability (2)

Interactions (1)