taxol molecule

GPTKB entity

Statements (52)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
natural product
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 antineoplastic agent
metabolite
mitotic inhibitor
taxane
diterpenoid
plant alkaloid
https://www.w3.org/2000/01/rdf-schema#label taxol molecule
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:anemia
fever
nausea
vomiting
diarrhea
fatigue
joint pain
muscle pain
hair loss
peripheral neuropathy
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