Summary for dataset Nissler.2007.nmr

General Information

dataset:Nissler.2007.nmr
DOI:10.1093/chemse/bjq042
other datasets in study:Nissler.2007.EC50
technique:calcium imaging
data type:EC50
controls:mineral oil
solvents:mineral oil
SFR reported:no SFR
SFR substracted:no SFR

Data

Name InChIKey CAS Or13a
sfr SFR SFR 0
acetic acid QTBSBXVTEAMEQO-UHFFFAOYSA-N 64-19-7 0.01225
propanoic acid XBDQKXXYIPTUBI-UHFFFAOYSA-N 79-09-4 0.19375
butyric acid FERIUCNNQQJTOY-UHFFFAOYSA-N 107-92-6 0.27175
pentanoic acid NQPDZGIKBAWPEJ-UHFFFAOYSA-N 109-52-4 0.17125
hexanoic acid FUZZWVXGSFPDMH-UHFFFAOYSA-N 142-62-1 0.206909
heptanoic acid MNWFXJYAOYHMED-UHFFFAOYSA-N 111-14-8 0.223818
octanoic acid WWZKQHOCKIZLMA-UHFFFAOYSA-N 124-07-2 0.177583
nonanoic acid FBUKVWPVBMHYJY-UHFFFAOYSA-N 112-05-0 0.111333
isobutyric acid KQNPFQTWMSNSAP-UHFFFAOYSA-N 79-31-2 0.191727
(-)-trans-caryophyllene NPNUFJAVOOONJE-GFUGXAQUSA-N 87-44-5 0.27
alpha-terpineol WUOACPNHFRMFPN-SECBINFHSA-N 10482-56-1 0.183667
geraniol GLZPCOQZEFWAFX-JXMROGBWSA-N 106-24-1 0.2375
linalool CDOSHBSSFJOMGT-UHFFFAOYSA-N 78-70-6 0.263167
beta-citronellol QMVPMAAFGQKVCJ-SNVBAGLBSA-N 106-22-9 0.1355
(R)-(-)-carvone ULDHMXUKGWMISQ-SECBINFHSA-N 6485-40-1 0.220571
(S)-(+)-carvone ULDHMXUKGWMISQ-VIFPVBQESA-N 2244-16-8 0.284
1,8-cineole WEEGYLXZBRQIMU-WAAGHKOSSA-N 470-82-6 0.183333
citral WTEVQBCEXWBHNA-JXMROGBWSA-N 5392-40-5 0.179667
(S)-(-)-citronellal NEHNMFOYXAPHSD-JTQLQIEISA-N 5949-05-3 0.128889
(1R)-(-)-fenchone LHXDLQBQYFFVNW-OIBJUYFYSA-N 7787-20-4 0.200571
(R)-(+)-limonene XMGQYMWWDOXHJM-JTQLQIEISA-N 5989-27-5 0.265
(1R)-(-)-myrtenal KMRMUZKLFIEVAO-UHFFFAOYSA-N 564-94-3 0.154571
(+)-alpha-pinene GRWFGVWFFZKLTI-RKDXNWHRSA-N 7785-70-8 0.170571
(R)-(+)-pulegon NZGWDASTMWDZIW-MRVPVSSYSA-N 89-82-7 0.232167
(-)-alpha-thujone USMNOWBWPHYOEA-MRTMQBJTSA-N 546-80-5 0.111333
alpha-bisabolol RGZSQWQPBWRIAQ-CABCVRRESA-N 23089-26-1 0.220667
e,e-farnesol CRDAMVZIKSXKFV-YFVJMOTDSA-N 106-28-5 0.240167
alpha-ionone UZFLPKAIBPNNCA-BQYQJAHWSA-N 127-41-3 0.224167
beta-ionone PSQYTAPXSHCGMF-BQYQJAHWSA-N 79-77-6 0.1982
acetaldehyde IKHGUXGNUITLKF-UHFFFAOYSA-N 75-07-0 0.1155
propanal NBBJYMSMWIIQGU-UHFFFAOYSA-N 123-38-6 0.1356
butanal ZTQSAGDEMFDKMZ-UHFFFAOYSA-N 123-72-8 0.178
pentanal HGBOYTHUEUWSSQ-UHFFFAOYSA-N 110-62-3 0.253667
hexanal JARKCYVAAOWBJS-UHFFFAOYSA-N 66-25-1 0.3851
E2-hexenal MBDOYVRWFFCFHM-SNAWJCMRSA-N 6728-26-3 0.539
furfural HYBBIBNJHNGZAN-UHFFFAOYSA-N 98-01-1 -0.129294
octanal NUJGJRNETVAIRJ-UHFFFAOYSA-N 124-13-0 0.3026
decanal KSMVZQYAVGTKIV-UHFFFAOYSA-N 112-31-2 0.212333
heptanal FXHGMKSSBGDXIY-UHFFFAOYSA-N 111-71-7 0.4797
nonanal GYHFUZHODSMOHU-UHFFFAOYSA-N 124-19-6 0.318667
acetone CSCPPACGZOOCGX-UHFFFAOYSA-N 67-64-1 0.1574
2-butanone ZWEHNKRNPOVVGH-UHFFFAOYSA-N 78-93-3 0.3239
2-heptanone CATSNJVOTSVZJV-UHFFFAOYSA-N 110-43-0 0.4642
2,3-butanedione QSJXEFYPDANLFS-UHFFFAOYSA-N 431-03-8 0.269364
3-penten-2-one LABTWGUMFABVFG-ARJAWSKDSA-N 625-33-2 0.3599
2-hexanone QQZOPKMRPOGIEB-UHFFFAOYSA-N 591-78-6 0.3074
3-hexanone PFCHFHIRKBAQGU-UHFFFAOYSA-N 589-38-8 0.2546
cyclohexanone JHIVVAPYMSGYDF-UHFFFAOYSA-N 108-94-1 0.2428
2-octanone ZPVFWPFBNIEHGJ-UHFFFAOYSA-N 111-13-7 0.6309
nonanone VKCYHJWLYTUGCC-UHFFFAOYSA-N 821-55-6 0.3397
phenethyl alcohol WRMNZCZEMHIOCP-UHFFFAOYSA-N 60-12-8 0.299222
benzyl alcohol WVDDGKGOMKODPV-UHFFFAOYSA-N 100-51-6 0.315111
methyl salicylate OSWPMRLSEDHDFF-UHFFFAOYSA-N 119-36-8 0.199667
ethyl benzoate MTZQAGJQAFMTAQ-UHFFFAOYSA-N 93-89-0 0.203667
benzaldehyde HUMNYLRZRPPJDN-UHFFFAOYSA-N 100-52-7 0.119111
phenylacetaldehyde DTUQWGWMVIHBKE-UHFFFAOYSA-N 122-78-1 0.187333
eugenol RRAFCDWBNXTKKO-UHFFFAOYSA-N 97-53-0 0.184
4-propenyl anisole RUVINXPYWBROJD-ONEGZZNKSA-N 104-46-1 0.218333
4-methoxybenzaldehyde ZRSNZINYAWTAHE-UHFFFAOYSA-N 123-11-5 0.253778
4-isopropylbenzaldehyde WTWBUQJHJGUZCY-UHFFFAOYSA-N 122-03-2 0.159667
4-methoxybenzene RDOXTESZEPMUJZ-UHFFFAOYSA-N 100-66-3 0.121778
4-allyl-1,2-dimethoxybenzene ZYEMGPIYFIJGTP-UHFFFAOYSA-N 93-15-2 0.199143
iso-eugenol BJIOGJUNALELMI-ONEGZZNKSA-N 97-54-1 0.0188889
4-methylphenol IWDCLRJOBJJRNH-UHFFFAOYSA-N 106-44-5 0.164375
2-propylphenol LCHYEKKJCUJAKN-UHFFFAOYSA-N 644-35-9 0.102667
benzonitrile JFDZBHWFFUWGJE-UHFFFAOYSA-N 100-47-0 0.135333
methyl jasmonate GEWDNTWNSAZUDX-SNAWJCMRSA-N 39924-52-2 0.175222
2-ethylphenol IXQGCWUGDFDQMF-UHFFFAOYSA-N 90-00-6 0.0454444
1-butanol LRHPLDYGYMQRHN-UHFFFAOYSA-N 71-36-3 0.606
1-hexanol ZSIAUFGUXNUGDI-UHFFFAOYSA-N 111-27-3 0.735
3-methyl-butanol PHTQWCKDNZKARW-UHFFFAOYSA-N 123-51-3 0.297
1-octen-3-ol VSMOENVRRABVKN-UHFFFAOYSA-N 3391-86-4 1.3446
Z3-hexenol UFLHIIWVXFIJGU-ARJAWSKDSA-N 928-96-1 0.626
2,3-butanediol OWBTYPJTUOEWEK-UHFFFAOYSA-N 513-85-9 0.31825
decanol MWKFXSUHUHTGQN-UHFFFAOYSA-N 112-30-1 0.289
4-methylcyclohexanol MQWCXKGKQLNYQG-UHFFFAOYSA-N 589-91-3 0.41975
3-octanol NMRPBPVERJPACX-UHFFFAOYSA-N 589-98-0 0.990635
4-octanol WOFPPJOZXUTRAU-UHFFFAOYSA-N 589-62-8 0.60925
2-heptanol CETWDUZRCINIHU-UHFFFAOYSA-N 543-49-7 1.0235
2-hexanol QNVRIHYSUZMSGM-UHFFFAOYSA-N 626-93-7 0.91475
1-hexen-3-ol BVOSSZSHBZQJOI-UHFFFAOYSA-N 4798-44-1 0.76425
butyl acetate DKPFZGUDAPQIHT-UHFFFAOYSA-N 123-86-4 0.531667
pentyl acetate PGMYKACGEOXYJE-UHFFFAOYSA-N 628-63-7 0.801833
hexyl acetate AOGQPLXWSUTHQB-UHFFFAOYSA-N 142-92-7 0.59325
E2-hexenyl acetate HRHOWZHRCRZVCU-WAYWQWQTSA-N 2497-18-9 0.7375
hexyl butyrate XAPCMTMQBXLDBB-UHFFFAOYSA-N 2639-63-6 0.3416
octyl acetate YLYBTZIQSIBWLI-UHFFFAOYSA-N 112-14-1 0.22225
2-methyl butyl acetate XHIUFYZDQBSEMF-UHFFFAOYSA-N 624-41-9 0.3054
sec-amyl acetate GQKZRWSUJHVIPE-UHFFFAOYSA-N 626-38-0 0
ethyl (R)-(-)-3-hydroxybutanoate OMSUIQOIVADKIM-RXMQYKEDSA-N 24915-95-5 0.74525
ethyl (S)-(+)-3-hydroxybutanoate OMSUIQOIVADKIM-YFKPBYRVSA-N 56816-01-4 0.857
ethyl 2-methylbutanoate HCRBXQFHJMCTLF-UHFFFAOYSA-N 7452-79-1 0.27375
methyl 3-hydroxy hexanoate ACCRBMDJCPPJDX-UHFFFAOYSA-N 21188-58-9 0.5895
ethyl 3-hydroxyhexanoate LYRIITRHDCNUHV-UHFFFAOYSA-N 2305-25-1 0.52975
isoamyl tiglate ZARFDQHJMNVNLE-WEVVVXLNSA-N 41519-18-0 0.3244
isopropyl butyrate FFOPEPMHKILNIT-UHFFFAOYSA-N 638-11-9 0.1984
methyl tiglate YYJWBYNQJLBIGS-PLNGDYQASA-N 6622-76-0 0.315
ethyl 2-methyl-2e-butenoate OAPHLAAOJMTMLY-GQCTYLIASA-N 5837-78-5 0.173
isopropyl tiglate VUPBIVVRPJDWNW-FNORWQNLSA-N 1733-25-1 0.0606667
ethyl isovalerate PPXUHEORWJQRHJ-UHFFFAOYSA-N 108-64-5 0.19225
heptyl acetate ZCZSIDMEHXZRLG-UHFFFAOYSA-N 112-06-1 0.34225
Z3-hexenyl acetate NPFVOOAXDOBMCE-PLNGDYQASA-N 3681-71-8 0.69825
hexyl methanoate OUGPMNMLWKSBRI-UHFFFAOYSA-N 629-33-4 0.59025
beta-butyrolactone GSCLMSFRWBPUSK-UHFFFAOYSA-N 3068-88-0 0
gamma-valerolactone GAEKPEKOJKCEMS-UHFFFAOYSA-N 108-29-2 0.307556
gamma-propyl-gamma-butyrolactone VLSVVMPLPMNWBH-UHFFFAOYSA-N 105-21-5 0.352889
oil solvent solvent 0.212404
heptane IMNFDUFMRHMDMM-UHFFFAOYSA-N 142-82-5 0.311833
octane TVMXDCGIABBOFY-UHFFFAOYSA-N 111-65-9 0.287222
nonane BKIMMITUMNQMOS-UHFFFAOYSA-N 111-84-2 0.253222