taxol molecule

URI: https://gptkb.org/entity/taxol_molecule

GPTKB entity

Predicate	Object
gptkbp:instanceOf	gptkb:natural_product gptkb:chemical_compound
gptkbp:ATCCode	L01CD01
gptkbp:CASNumber	33069-62-4
gptkbp:discoveredBy	gptkb:Mansukh_C._Wani gptkb:Monroe_E._Wall 1967
gptkbp:hasBiologicalActivity	anticancer agent
gptkbp:hasInChIKey	YSAUAVLOXLNGBK-UHFFFAOYSA-N
gptkbp:hasMolecularFormula	C47H51NO14
gptkbp:hasSMILES	CC1=C2C(=CC(=C1)OC)C(=O)OC2
gptkbp:heldBy	gptkb:metabolite gptkb:diterpenoid gptkb:antineoplastic_agent gptkb:mitotic_inhibitor gptkb:taxane plant alkaloid
gptkbp:isolated_from	gptkb:Pacific_yew_tree
gptkbp:IUPACName	(2aR,4S,4aS,6R,9S,11S,12aR,12bS)-11-acetoxy-12b-benzoyloxy-9,12a-dihydroxy-4,6,8,8,12b-pentamethyl-10-oxo-2,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-7,11-methanocyclodeca[3,4]benz[1,2-b]oxet-6-yl benzoate
gptkbp:listedOn	gptkb:World_Health_Organization's_List_of_Essential_Medicines
gptkbp:mass	853.9 g/mol
gptkbp:mechanismOfAction	stabilizes microtubules
gptkbp:meltingPoint	216-217 °C
gptkbp:otherName	paclitaxel
gptkbp:PubChem_CID	36314 33419
gptkbp:routeOfAdministration	intravenous
gptkbp:sideEffect	gptkb:peripheral_neuropathy gptkb:anemia fever nausea vomiting diarrhea fatigue joint pain muscle pain hair loss infections allergic reaction rash neutropenia thrombocytopenia liver toxicity bradycardia low blood pressure hypersensitivity reaction mouth sores
gptkbp:usedFor	gptkb:cancer
gptkbp:bfsParent	gptkb:E_ring gptkb:E_Ring
gptkbp:bfsLayer	7
https://www.w3.org/2000/01/rdf-schema#label	taxol molecule