1.02010-04-08 22:09:41 UTC2019-11-26 03:05:02 UTCFDB011525BaptifolineAlkaloid from Caulophyllum thalictroides (blue cohosh). Baptifoline is found in coffee and coffee products.(-)-Baptifoline13-HydroxyanagyrineAlkaloid P3?C15H20N2O2260.3315260.152477894732-50-3OC1CCN2CC3CC(CN4C(=O)C=CC=C34)C2C1InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2AOOCSKCGZYCEJX-UHFFFAOYSA-N belongs to the class of organic compounds known as anagyrine-type alkaloids. These are lupin alkaloids with a structure based on the anagyrine skeleton. Anagyrine is a tetracyclic ketone containing a quinolizidine, and two pyridine rings fused together to form dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one.Anagyrine-type alkaloidsOrganic compoundsAlkaloids and derivativesLupin alkaloidsAnagyrine-type alkaloidsAromatic heteropolycyclic compoundsAralkylaminesAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesLactamsOrganic oxidesOrganopnictogen compoundsPiperidinesPyridinonesQuinolizidinesSecondary alcoholsTrialkylaminesAlcoholAmineAnagyrine-type alkaloidAralkylamineAromatic heteropolycyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeLactamOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPiperidinePyridinePyridinoneQuinolizidineSecondary alcoholTertiary aliphatic amineTertiary aminemelting_pointMp 210°average_mass260.3315mono_mass260.152477894smilesOC1CCN2CC3CC(CN4C(=O)C=CC=C34)C2C1formulaC15H20N2O2inchiInChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2inchikeyAOOCSKCGZYCEJX-UHFFFAOYSA-NSpecdb::CMs11206Specdb::CMs43317Specdb::CMs132361Specdb::CMs140095Specdb::MsMs16727Specdb::MsMs16728Specdb::MsMs16729Specdb::MsMs3079563Specdb::MsMs3079564Specdb::MsMs3079565Specdb::MsMs10055Specdb::MsMs10056Specdb::MsMs10057Specdb::MsMs2262205Specdb::MsMs2262206Specdb::MsMs2262207Specdb::NmrOneD120118Specdb::NmrOneD120119Specdb::NmrOneD120120Specdb::NmrOneD120121Specdb::NmrOneD120122Specdb::NmrOneD120123Specdb::NmrOneD120124Specdb::NmrOneD120125Specdb::NmrOneD120126Specdb::NmrOneD120127Specdb::NmrOneD120128Specdb::NmrOneD120129Specdb::NmrOneD120130Specdb::NmrOneD120131Specdb::NmrOneD120132Specdb::NmrOneD120133Specdb::NmrOneD120134Specdb::NmrOneD120135Specdb::NmrOneD120136Specdb::NmrOneD120137HMDB33481#<Reference:0x000055567459dd58>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390