This page contains natural product and chemical compounds referred to by one or more experiment present in the repository


Name InChIKey Natural Product Enantiomers Enantiomer of Metabolites Metabolite of
(-)-beta-hydrastine Goldenseal (Hydrastis canadensis)
hydrastine
(-)-epicatechin Green Tea (Camellia sinensis)
epicatechin
(-)-epicatechin-3-gallate Green Tea (Camellia sinensis)
epicatechin gallate
(-)-epigallocatechin Green Tea (Camellia sinensis)
epigallocatechin
(-)-epigallocatechin gallate epigallocatechin gallate
(-)-gallocatechin XMOCLSLCDHWDHP-DOMZBBRYSA-N Green Tea (Camellia sinensis)
gallocatechin
(s)-warfarin PJVWKTKQMONHTI-HNNXBMFYSA-N 7-hydroxywarfarin
1'-hydroxybufuralol GTYMTYBCXVOBBB-UHFFFAOYSA-N bufuralol
1'-hydroxymidazolam QHSMEGADRFZVNE-UHFFFAOYSA-N midazolam
11-hydroxy-delta-9-tetrahydrocannabinol YCBKSSAWEUDACY-IAGOWNOFSA-N 11-nor-9-carboxy-delta9-tetrahydrocannabinol
delta-9-tetrahydrocannabinol (thc)
11-hydroxycannabinol YDKZOUNVEIGJPO-UHFFFAOYSA-N cannabinol (cbn)
11-nor-9-carboxy-delta9-tetrahydrocannabinol YOVRGSHRZRJTLZ-HZPDHXFCSA-N glucuronide
delta-9-tetrahydrocannabinol (thc)
11-hydroxy-delta-9-tetrahydrocannabinol
17 beta-estradiol 17 beta (d-glucuronide)
17-beta-estradiol VOXZDWNPVJITMN-ZBRFXRBCSA-N 4-hydroxyestradiol
2-hydroxyestradiol
17-beta-estradiol-3-o-glucuronide
17-beta-estradiol glucuronide MTKNDAQYHASLID-RNFKDHMMSA-N
17-beta-estradiol-3-o-glucuronide 17-beta-estradiol
2-hydroxyestradiol DILDHNKDVHLEQB-XSSYPUMDSA-N 17-beta-estradiol
3,3′-diethyloxacarbocyanine iodide FIZZUEJIOKEFFZ-UHFFFAOYSA-M
3-[2-(n,n-diethyl-n-methylammonium)ethyl]-7-hydroxy-4-methylcoumarin 3-[2-(n,n-diethyl-n-methylammonium)ethyl]-7-methoxy-4-methylcoumarin
3-[2-(n,n-diethyl-n-methylammonium)ethyl]-7-methoxy-4-methylcoumarin 3-[2-(n,n-diethyl-n-methylammonium)ethyl]-7-hydroxy-4-methylcoumarin
3-cyano-7-ethoxycoumarin YAFGHMIAFYQSCF-UHFFFAOYSA-N 3-cyano-7-hydroxycoumarin
3-cyano-7-hydroxycoumarin IJQYTHQDUDCJEQ-UHFFFAOYSA-N 3-cyano-7-ethoxycoumarin
3-o-methylfluorescein KDXNYSZNOWTPLE-UHFFFAOYSA-N fluorescein
4'-hydroxydiclofenac KGVXVPRLBMWZLG-UHFFFAOYSA-N diclofenac
4'-methyl-epigallocatechin ITDYPNOEEHONAH-UKRRQHHQSA-N epigallocatechin
4-hydroxyestradiol QOZFCKXEVSGWGS-ZHIYBZGJSA-N 17-beta-estradiol
4-hydroxymephenytoin, (s)- OQPLORUDZLXXPD-UHFFFAOYSA-N mephenytoin, (s)-
4-methylumbelliferone HSHNITRMYYLLCV-UHFFFAOYSA-N 4-methylumbelliferone glucuronide
4-methylumbelliferone glucuronide ARQXEQLMMNGFDU-JHZZJYKESA-N 4-methylumbelliferone
4-nitrocatechol XJNPNXSISMKQEX-UHFFFAOYSA-N 4-nitrophenol
4-nitrophenol 4-nitrocatechol
4-nitrophenyl sulfate JBGHTSSFSSUKLR-UHFFFAOYSA-N p-nitrophenol
5-hydroxyomeprazole CMZHQFXXAAIBKE-UHFFFAOYSA-N omeprazole
6-alpha-hydroxy paclitaxel NDCWHEDPSFRTDA-MJLVFIKCSA-N paclitaxel
6-hydroxychloroxazone AGLXDWOTVQZHIQ-UHFFFAOYSA-N chloroxazone
6beta-hydroxytestosterone XSEGWEUVSZRCBC-ZVBLRVHNSA-N testosterone
6α-oh-cannabidiol YYLPAYRRVSQJRR-KSZLIROESA-N cannabidiol (cbd)
6β-oh-cannabidiol YYLPAYRRVSQJRR-RCCFBDPRSA-N cannabidiol (cbd)
6’deoxyluciferin (luciferin h) luciferin
7-benzyloxy-4-(trifluoromethyl)-coumarin WVKLERKKJXUPIK-UHFFFAOYSA-N 7-hydroxy-4-(trifluromethyl)-coumarin
7-cooh-cbd cannabidiol (cbd)
7-ethoxycoumarin LIFAQMGORKPVDH-UHFFFAOYSA-N 7-hydroxycoumarin
coumarin
7-ethoxyresorufin CRCWUBLTFGOMDD-UHFFFAOYSA-N resorufin
7-ethyl-10-hydroxycamptothecin FJHBVJOVLFPMQE-QFIPXVFZSA-N irinotecan
7-hydroxy-4-(trifluromethyl)-coumarin CCKWMCUOHJAVOL-UHFFFAOYSA-N 7-benzyloxy-4-(trifluoromethyl)-coumarin
7-hydroxycannabidiol ZELUXPWDPVXUEI-ZWKOTPCHSA-N cannabidiol (cbd)
7-hydroxycoumarin ORHBXUUXSCNDEV-UHFFFAOYSA-N coumarin
7-ethoxycoumarin
7-hydroxymitragynine RYENLSMHLCNXJT-CYXFISRXSA-N Kratom (Mitragyna speciosa)
mitragynine
7-hydroxywarfarin SKFYEJMLNMTTJA-UHFFFAOYSA-N (s)-warfarin
7beta‐hydroxy‐7h‐mitraciliatine RYENLSMHLCNXJT-KPWJTKAOSA-N Kratom (Mitragyna speciosa)
8,9-dihydrocannabidiol
acetaminophen RZVAJINKPMORJF-UHFFFAOYSA-N acetanilide
phenacetin
acetanilide FZERHIULMFGESH-UHFFFAOYSA-N acetaminophen
aflatoxin b1 OQIQSTLJSLGHID-WNWIJWBNSA-N
alprazolam VREFGVBLTWBCJP-UHFFFAOYSA-N
amodiaquine OVCDSSHSILBFBN-UHFFFAOYSA-N n-desethylamodiaquine
amprenavir YMARZQAQMVYCKC-OEMFJLHTSA-N
aqueous goldenseal extract Goldenseal (Hydrastis canadensis)
arsenic (as) RQNWIZPPADIBDY-UHFFFAOYSA-N
atorvastatin XUKUURHRXDUEBC-KAYWLYCHSA-N
berberine YBHILYKTIRIUTE-UHFFFAOYSA-N Goldenseal (Hydrastis canadensis)
bromosulfophthalein GHAFORRTMVIXHS-UHFFFAOYSA-L
bufuralol SSEBTPPFLLCUMN-UHFFFAOYSA-N 1'-hydroxybufuralol
buprenorphine RMRJXGBAOAMLHD-IHFGGWKQSA-N
bupropion SNPPWIUOZRMYNY-UHFFFAOYSA-N hydroxybupropion
buspirone QWCRAEMEVRGPNT-UHFFFAOYSA-N
cadmium (cd) BDOSMKKIYDKNTQ-UHFFFAOYSA-N
caffeic acid QAIPRVGONGVQAS-DUXPYHPUSA-N
caffeine RYYVLZVUVIJVGH-UHFFFAOYSA-N Green Tea (Camellia sinensis)
theophylline
theobromine
paraxanthine
calcein-am XKFSBWQWNMZWFA-UHFFFAOYSA-N
cannabichromene (cbc) UVOLYTDXHDXWJU-UHFFFAOYSA-N
cannabidiol (cbd) QHMBSVQNZZTUGM-ZWKOTPCHSA-N 7-hydroxycannabidiol
7-cooh-cbd
6β-oh-cannabidiol
6α-oh-cannabidiol
cannabidiol-2'-monomethyl ether
cannabidiol-dimethyl ether UYBGHBAVRNATET-VQTJNVASSA-N
cannabidiol-hydroxyquinone WDXXEUARVHTWQF-DLBZAZTESA-N
cannabidivarin REOZWEGFPHTFEI-JKSUJKDBSA-N
cannabigerol (cbg) QXACEHWTBCFNSA-SFQUDFHCSA-N
cannabinol (cbn) VBGLYOIFKLUMQG-UHFFFAOYSA-N 11-hydroxycannabinol
delta-9-tetrahydrocannabinol (thc)
catechin PFTAWBLQPZVEMU-DZGCQCFKSA-N Green Tea (Camellia sinensis)
catechin sulfate
catechin sulfate RTMISWLJQDWIPT-UHFFFAOYSA-N Green Tea (Camellia sinensis)
catechin
chlorogenic acid CWVRJTMFETXNAD-JUHZACGLSA-N Green Tea (Camellia sinensis)
chloroxazone TZFWDZFKRBELIQ-UHFFFAOYSA-N 6-hydroxychloroxazone
clobazam CXOXHMZGEKVPMT-UHFFFAOYSA-N n-desmethylclobazam
corynoxine DAXYUDFNWXHGBE-NRAMRBJXSA-N Kratom (Mitragyna speciosa)
corynoxine b DAXYUDFNWXHGBE-XYEDMTIPSA-N Kratom (Mitragyna speciosa)
coumaric acid NGSWKAQJJWESNS-UTCJRWHESA-N
coumarin ZYGHJZDHTFUPRJ-UHFFFAOYSA-N 7-hydroxycoumarin
7-ethoxycoumarin
cyclosporin a PMATZTZNYRCHOR-CGLBZJNRSA-N
debrisoquine JWPGJSVJDAJRLW-UHFFFAOYSA-N
delta-8-tetrahydrocannabinol HCAWPGARWVBULJ-UHFFFAOYSA-N Cannabis (Cannabis sativa)
delta-9-tetrahydrocannabinol (thc) CYQFCXCEBYINGO-UHFFFAOYSA-N Cannabis (Cannabis sativa)
cannabinol (cbn)
11-nor-9-carboxy-delta9-tetrahydrocannabinol
11-hydroxy-delta-9-tetrahydrocannabinol
dexamethasone UREBDLICKHMUKA-CXSFZGCWSA-N
dextromethorphan MKXZASYAUGDDCJ-NJAFHUGGSA-N dextrorphan
dextrorphan JAQUASYNZVUNQP-PVAVHDDUSA-N dextromethorphan
dibenzylfluorescein YZJGKSLPSGPFEV-UHFFFAOYSA-N fluorescein
diclofenac DCOPUUMXTXDBNB-UHFFFAOYSA-N 4'-hydroxydiclofenac
digoxin LTMHDMANZUZIPE-PUGKRICDSA-N
diltiazem HSUGRBWQSSZJOP-RTWAWAEBSA-N n-demethyldiltiazem
dimethyl sulfoxide IAZDPXIOMUYVGZ-UHFFFAOYSA-N
diphenhydramine ZZVUWRFHKOJYTH-UHFFFAOYSA-N
docetaxel ZDZOTLJHXYCWBA-VCVYQWHSSA-N
dopamine VYFYYTLLBUKUHU-UHFFFAOYSA-N dopamine sulfate
dopamine sulfate NWBBWUXCVIJZBG-UHFFFAOYSA-N dopamine
dronabinol CYQFCXCEBYINGO-IAGOWNOFSA-N
epicatechin PFTAWBLQPZVEMU-UKRRQHHQSA-N Green Tea (Camellia sinensis)
(-)-epicatechin
epicatechin gallate LSHVYAFMTMFKBA-TZIWHRDSSA-N Green Tea (Camellia sinensis)
(-)-epicatechin-3-gallate
epigallocatechin XMOCLSLCDHWDHP-IUODEOHRSA-N Green Tea (Camellia sinensis)
(-)-epigallocatechin
4'-methyl-epigallocatechin
epigallocatechin gallate WMBWREPUVVBILR-WIYYLYMNSA-N Green Tea (Camellia sinensis)
(-)-epigallocatechin gallate
estrone-3-sulfate JKKFKPJIXZFSSB-CBZIJGRNSA-N
ethanol LFQSCWFLJHTTHZ-UHFFFAOYSA-N ethyl glucuronide
ethanolic extract of licorice g. glabra Licorice (Glycyrrhiza glabra)
ethanolic extract of licorice g. inflata Licorice (Glycyrrhiza inflata)
ethanolic extract of licorice g. uralensis Licorice (Glycyrrhiza uralensis)
ethanolic goldenseal extract Goldenseal (Hydrastis canadensis)
ethyl glucuronide IWJBVMJWSPZNJH-UQGZVRACSA-N ethanol
ethylene glycol ester of luciferin 6’methyl ether (luciferin me-ege) luciferin
famotidine XUFQPHANEAPEMJ-UHFFFAOYSA-N
fentanyl PJMPHNIQZUBGLI-UHFFFAOYSA-N
fluo3 OZLGRUXZXMRXGP-UHFFFAOYSA-N
fluorescein GNBHRKFJIUUOQI-UHFFFAOYSA-N 3-o-methylfluorescein
dibenzylfluorescein
gallic acid LNTHITQWFMADLM-UHFFFAOYSA-N Green Tea (Camellia sinensis)
gallocatechin XMOCLSLCDHWDHP-SWLSCSKDSA-N Green Tea (Camellia sinensis)
(-)-gallocatechin
gallocatechin gallate WMBWREPUVVBILR-GHTZIAJQSA-N Green Tea (Camellia sinensis)
glabridin LBQIJVLKGVZRIW-ZDUSSCGKSA-N Licorice (Glycyrrhiza glabra)
glucuronide 11-nor-9-carboxy-delta9-tetrahydrocannabinol
glycycoumarin NZYSZZDSYIBYLC-UHFFFAOYSA-N Licorice (Glycyrrhiza glabra)
glycyrrhetinic acid MPDGHEJMBKOTSU-PMTKVOBESA-N Licorice (Glycyrrhiza glabra)
glycyrrhizin LPLVUJXQOOQHMX-QWBHMCJMSA-N Licorice (Glycyrrhiza glabra)
goldenseal root extract Goldenseal (Hydrastis canadensis)
green tea leaf Green Tea (Camellia sinensis)
green tea leaf extract Green Tea (Camellia sinensis)
hexobarbital UYXAWHWODHRRMR-UHFFFAOYSA-N
high-fat food
hydrastine JZUTXVTYJDCMDU-MOPGFXCFSA-N Goldenseal (Hydrastis canadensis)
(-)-beta-hydrastine
hydrastinine YOJQZPVUNUQTDF-UHFFFAOYSA-N Goldenseal (Hydrastis canadensis)
hydroxybupropion AKOAEVOSDHIVFX-UHFFFAOYSA-N bupropion
hydroxymethyltolbutamide SJRHYONYKZIRPM-UHFFFAOYSA-N tolbutamide
hypericin BTXNYTINYBABQR-UHFFFAOYSA-N
indinavir CBVCZFGXHXORBI-PXQQMZJSSA-N
irinotecan UWKQSNNFCGGAFS-XIFFEERXSA-N sn-38g
7-ethyl-10-hydroxycamptothecin
isoliquiritigenin DXDRHHKMWQZJHT-FPYGCLRLSA-N Licorice (Glycyrrhiza glabra)
isoliquiritin YNWXJFQOCHMPCK-LXGDFETPSA-N Licorice (Glycyrrhiza glabra)
isoliquiritin apioside VMMVZVPAYFZNBM-KVFWHIKKSA-N Licorice (Glycyrrhiza glabra)
isorotundifoline IXWWTVSMMIIIFZ-JCIDKMOXSA-N Kratom (Mitragyna speciosa)
isospeciofoline IXWWTVSMMIIIFZ-UKBVIRROSA-N Kratom (Mitragyna speciosa)
kaempferol IYRMWMYZSQPJKC-UHFFFAOYSA-N
ketamine YQEZLKZALYSWHR-UHFFFAOYSA-N
ketoconazole XMAYWYJOQHXEEK-OZXSUGGESA-N
lead (pb) WABPQHHGFIMREM-UHFFFAOYSA-N
licochalcone a KAZSKMJFUPEHHW-DHZHZOJOSA-N Licorice (Glycyrrhiza glabra)
licoricidin GBRZTUJCDFSIHM-KRWDZBQOSA-N Licorice (Glycyrrhiza glabra)
licuraside VMMVZVPAYFZNBM-FPYGCLRLSA-N Licorice (Glycyrrhiza glabra)
liquiritigenin FURUXTVZLHCCNA-AWEZNQCLSA-N Licorice (Glycyrrhiza glabra)
liquiritin DEMKZLAVQYISIA-ZRWXNEIDSA-N Licorice (Glycyrrhiza glabra)
liquiritin apioside FTVKHUHJWDMWIR-DWMQJYMWSA-N Licorice (Glycyrrhiza glabra)
lopinavir KJHKTHWMRKYKJE-SUGCFTRWSA-N
losartan losartan carboxylic acid
losartan carboxylic acid losartan
lovastatin PCZOHLXUXFIOCF-BXMDZJJMSA-N
luciferin IWJYWBVPCGUPLO-KOUNZKNHSA-N luciferin 6’benzyl ether (luciferin-be)
ethylene glycol ester of luciferin 6’methyl ether (luciferin me-ege)
6’deoxyluciferin (luciferin h)
luciferin 6’benzyl ether (luciferin-be) luciferin
medicinal cannabis Cannabis (Cannabis sativa)
mephenytoin, (s)- GMHKMTDVRCWUDX-LBPRGKRZSA-N 4-hydroxymephenytoin, (s)-
mercury (hg) QSHDDOUJBYECFT-UHFFFAOYSA-N
metformin XZWYZXLIPXDOLR-UHFFFAOYSA-N
methanolic extract of kratom Kratom (Mitragyna speciosa)
methylumbelliferone
midazolam DDLIGBOFAVUZHB-UHFFFAOYSA-N 1'-hydroxymidazolam
mitoxantrone KKZJGLLVHKMTCM-UHFFFAOYSA-N
mitragyna speciosa alkaloid rich fraction Kratom (Mitragyna speciosa)
mitragynine LELBFTMXCIIKKX-QVRQZEMUSA-N Kratom (Mitragyna speciosa)
7-hydroxymitragynine
mitraphylline JMIAZDVHNCCPDM-DAFCLMLCSA-N Kratom (Mitragyna speciosa)
mycophenolic acid HPNSFSBZBAHARI-RUDMXATFSA-N mycophenolic acid 7-o-glucuronide
mycophenolic acid 7-o-glucuronide mycophenolic acid
myricetin IKMDFBPHZNJCSN-UHFFFAOYSA-N
n-demethyldiltiazem YOMLDISQSWWYOT-UXHICEINSA-N diltiazem
n-desethylamodiaquine VRXFDHAGFYWGHT-UHFFFAOYSA-N amodiaquine
n-desmethylclobazam RRTVVRIFVKKTJK-UHFFFAOYSA-N clobazam
nadolol VWPOSFSPZNDTMJ-UCWKZMIHSA-N
naltrexone DQCKKXVULJGBQN-XFWGSAIBSA-N
nelfinavir QAGYKUNXZHXKMR-HKWSIXNMSA-N
nicardipine ZBBHBTPTTSWHBA-UHFFFAOYSA-N
norepinephrine SFLSHLFXELFNJZ-QMMMGPOBSA-N
ntcp
olanzapine WXPNDRBBWZMPQG-UHFFFAOYSA-N
omeprazole SUBDBMMJDZJVOS-UHFFFAOYSA-N 5-hydroxyomeprazole
p-hydroxy-benzylmalonic acid (hbma) JXJNPXPDKYRHJT-UHFFFAOYSA-N Licorice (Glycyrrhiza glabra)
p-nitrophenol BTJIUGUIPKRLHP-UHFFFAOYSA-N 4-nitrophenyl sulfate
paclitaxel RCINICONZNJXQF-MZXODVADSA-N 6-alpha-hydroxy paclitaxel
paraxanthine QUNWUDVFRNGTCO-UHFFFAOYSA-N Green Tea (Camellia sinensis)
caffeine
paroxetine
paynantheine JGZKIGWXPPFMRG-CYSPOEIOSA-N Kratom (Mitragyna speciosa)
phenacetin CPJSUEIXXCENMM-UHFFFAOYSA-N acetaminophen
placebo
quercetin REFJWTPEDVJJIY-UHFFFAOYSA-N
quinidine LOUPRKONTZGTKE-LHHVKLHASA-N
raloxifene GZUITABIAKMVPG-UHFFFAOYSA-N raloxifene 6-glucuronide
raloxifene 4'-glucuronide
raloxifene 4'-glucuronide VHXYPEXOSLGZKH-WKRHDJAJSA-N raloxifene
raloxifene 6-glucuronide MZPMSLSINDGEPM-WKRHDJAJSA-N raloxifene
resorufin 7-ethoxyresorufin
rhodamine 123 MYFATKRONKHHQL-UHFFFAOYSA-N
rifampicin FZYOVNIOYYPUPY-UXKYPCFPSA-N
rifampin JQXXHWHPUNPDRT-WLSIYKJHSA-N
ritodrine IOVGROKTTNBUGK-SJCJKPOMSA-N ritodrine sulfate ester
ritodrine sulfate ester ritodrine
ritonavir NCDNCNXCDXHOMX-XGKFQTDJSA-N
rosuvastatin BPRHUIZQVSMCRT-VEUZHWNKSA-N
rotundifoline IXWWTVSMMIIIFZ-LWWKTLCYSA-N Kratom (Mitragyna speciosa)
rutin IKGXIBQEEMLURG-NVPNHPEKSA-N
secobarbital KQPKPCNLIDLUMF-UHFFFAOYSA-N
serotonin QZAYGJVTTNCVMB-UHFFFAOYSA-N serotonin glucuronide
serotonin glucuronide serotonin
silybin b SEBFKMXJBCUCAI-WAABAYLZSA-N
sincalide IZTQOLKUZKXIRV-YRVFCXMDSA-N
sn-38g SSJQVDUAKDRWTA-CAYKMONMSA-N irinotecan
speciogynine LELBFTMXCIIKKX-STILVGNPSA-N Kratom (Mitragyna speciosa)
stiripentol IBLNKMRFIPWSOY-FNORWQNLSA-N
sulfaphenazole QWCJHSGMANYXCW-UHFFFAOYSA-N
sulfasalazine NCEXYHBECQHGNR-QZQOTICOSA-N
taurocholate WBWWGRHZICKQGZ-HZAMXZRMSA-N
tenofovir SGOIRFVFHAKUTI-ZCFIWIBFSA-N
testosterone MUMGGOZAMZWBJJ-DYKIIFRCSA-N 6beta-hydroxytestosterone
tetrahydrocannabivarin (thcv) ZROLHBHDLIHEMS-HUUCEWRRSA-N
tetrandrine WVTKBKWTSCPRNU-KYJUHHDHSA-N
theanine DATAGRPVKZEWHA-YFKPBYRVSA-N Green Tea (Camellia sinensis)
theobromine YAPQBXQYLJRXSA-UHFFFAOYSA-N Green Tea (Camellia sinensis)
caffeine
theophylline INQSMEFCAIHTJG-UHFFFAOYSA-N Green Tea (Camellia sinensis)
caffeine
tienilic acid
tolbutamide JLRGJRBPOGGCBT-UHFFFAOYSA-N hydroxymethyltolbutamide
trifluoperazine ZEWQUBUPAILYHI-UHFFFAOYSA-N trifluoperazine glucuronide
trifluoperazine glucuronide trifluoperazine
troleandomycin
valproic acid NIJJYAXOARWZEE-UHFFFAOYSA-N
verapamil DOQPXTMNIUCOSY-UHFFFAOYSA-N
vincristine OGWKCGZFUXNPDA-XQKSVPLYSA-N