The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

paclitaxel

Synonyms

TAXOL

5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

taxol

(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester

4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate

Paclitaxel

C47H51NO14

Taxol A

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate

ID

http://purl.obolibrary.org/obo/CHEBI_45863

AHFScode

10:00.00

altId

CHEBI:7887

CHEBI:45862

ATCCode

L01CD01

CASRN

33069-62-4

DBBrand

taxol

taxol a

paxene

paxceed

vascular wrap

abraxane

xorane

epitaxol

onxol

DBname

paclitaxel

DBSynonym

taxol

7-epitaxol

7-epi-paclitaxel

7-epipaclitaxel

conventional paclitaxel

abi-007

7-epi-taxol

paclitaxel (conventional)

Definition

A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark.

has effect

http://purl.obolibrary.org/obo/OAE_0000494

http://purl.obolibrary.org/obo/OAE_0000400

http://purl.obolibrary.org/obo/OAE_0001068

http://purl.obolibrary.org/obo/OAE_0000390

http://purl.obolibrary.org/obo/OAE_0000185

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0001288

http://purl.obolibrary.org/obo/OAE_0000205

http://purl.obolibrary.org/obo/OAE_0001128

http://purl.obolibrary.org/obo/OAE_0001509

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0000438

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0001437

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0000346

http://purl.obolibrary.org/obo/OAE_0001449

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000545

http://purl.obolibrary.org/obo/OAE_0000534

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000198

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0001340

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0001200

http://purl.obolibrary.org/obo/OAE_0001234

http://purl.obolibrary.org/obo/OAE_0000456

http://purl.obolibrary.org/obo/OAE_0001030

http://purl.obolibrary.org/obo/OAE_0000329

http://purl.obolibrary.org/obo/OAE_0000780

http://purl.obolibrary.org/obo/OAE_0001098

http://purl.obolibrary.org/obo/OAE_0001263

http://purl.obolibrary.org/obo/OAE_0000375

http://purl.obolibrary.org/obo/OAE_0000306

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0001286

http://purl.obolibrary.org/obo/OAE_0001297

http://purl.obolibrary.org/obo/OAE_0001341

http://purl.obolibrary.org/obo/OAE_0001744

http://purl.obolibrary.org/obo/OAE_0001364

http://purl.obolibrary.org/obo/OAE_0000539

http://purl.obolibrary.org/obo/OAE_0000943

http://purl.obolibrary.org/obo/OAE_0001505

http://purl.obolibrary.org/obo/OAE_0001393

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0001275

http://purl.obolibrary.org/obo/OAE_0001298

http://purl.obolibrary.org/obo/OAE_0001463

http://purl.obolibrary.org/obo/OAE_0000542

http://purl.obolibrary.org/obo/OAE_0000195

http://purl.obolibrary.org/obo/OAE_0000382

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000402

http://purl.obolibrary.org/obo/OAE_0001069

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0000415

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0000995

http://purl.obolibrary.org/obo/OAE_0001370

http://purl.obolibrary.org/obo/OAE_0000647

http://purl.obolibrary.org/obo/OAE_0001243

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0000394

http://purl.obolibrary.org/obo/OAE_0000660

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000917

http://purl.obolibrary.org/obo/OAE_0000167

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0000825

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0001308

http://purl.obolibrary.org/obo/OAE_0000607

http://purl.obolibrary.org/obo/OAE_0000618

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0001295

has pharmacological target

http://purl.obolibrary.org/obo/dinto_1696

http://purl.obolibrary.org/obo/dinto_2099

http://purl.obolibrary.org/obo/dinto_0915

http://purl.obolibrary.org/obo/dinto_1698

http://purl.obolibrary.org/obo/dinto_0396

has role

http://purl.obolibrary.org/obo/CHEBI_35610

http://purl.obolibrary.org/obo/CHEBI_26619

http://purl.obolibrary.org/obo/CHEBI_61950

imported from

http://purl.obolibrary.org/obo/chebi.owl

InChI

InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChIKey

InChIKey=RCINICONZNJXQF-MZXODVADSA-N

induces

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_3162

inhibits

http://purl.obolibrary.org/obo/dinto_1973

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_2828

http://purl.obolibrary.org/obo/dinto_2099

http://purl.obolibrary.org/obo/dinto_0915

http://purl.obolibrary.org/obo/dinto_0285

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_3102

is metabolised by

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_1956

http://purl.obolibrary.org/obo/dinto_2990

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1221

is transported by

http://purl.obolibrary.org/obo/dinto_1973

http://purl.obolibrary.org/obo/dinto_0883

http://purl.obolibrary.org/obo/dinto_1824

http://purl.obolibrary.org/obo/dinto_0887

http://purl.obolibrary.org/obo/dinto_1440

http://purl.obolibrary.org/obo/dinto_3489

label

paclitaxel

prefixIRI

obo2:CHEBI_45863

prefLabel

paclitaxel

related with

http://purl.obolibrary.org/obo/dinto_1696

http://purl.obolibrary.org/obo/dinto_1698

http://purl.obolibrary.org/obo/dinto_0396

SMILES

[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C

[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C

Synonym

TAXOL

5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

taxol

(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester

4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate

Paclitaxel

C47H51NO14

Taxol A

(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate

xref

PDBeChem:TA1

Wikipedia:http://en.wikipedia.org/wiki/Paclitaxel

KEGG DRUG:D00491

Drugs Product Database (DPD):2244372

PubChem Substance:46506910

IUPHAR:2770

PubChem Compound:36314

Drugs.com:http://www.drugs.com/cdi/paclitaxel.html

PharmGKB:PA450761

National Drug Code Directory:0703-4764-01

KEGG COMPOUND:C07394

ChemSpider:33395

Wikipedia:Paclitaxel

ChEBI:7887

DrugBank:DB01229

CASRN:33069-62-4

Guide To Pharmacology:2770

ChEMBL:108062

RxList:http://www.rxlist.com/cgi/generic/paclitaxel.htm

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Delete Mapping To Ontology Source
http://purl.bioontology.org/ontology/RXNORM/56946 RXNORM LOOM
http://www.drugbank.ca/drugs/DB01229 FTC LOOM
http://purl.bioontology.org/ontology/VANDF/4020736 VANDF LOOM
http://purl.bioontology.org/ontology/UATC/L01CD01 ATC LOOM
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http://purl.bioontology.org/ontology/CSP/0093-3150 CRISP LOOM
http://data.bnf.fr/ark:/12148/cb122615041 FAST-TOPICAL LOOM
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http://purl.bioontology.org/ontology/SNMI/C-78320 SNMI LOOM
http://purl.bioontology.org/ontology/NDDF/004116 NDDF LOOM
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http://purl.bioontology.org/ontology/RCD/h5B.. RCD LOOM
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http://purl.bioontology.org/ontology/SNOMEDCT/387374002 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/67735003 SNOMEDCT LOOM
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http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1411 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1411 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1411 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1411 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1411 ROO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1411 NCIT LOOM
http://purl.jp/bio/4/id/200906043304612581 IOBC LOOM
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http://purl.bioontology.org/ontology/LNC/MTHU036235 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.849.291.850.777 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_45863 ODNAE LOOM
http://purl.obolibrary.org/obo/CHEBI_45863 ODNAE SAME_URI
http://purl.obolibrary.org/obo/CHEBI_45863 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_45863 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_45863 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_45863 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_45863 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_45863 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_45863 BIOMODELS SAME_URI
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http://purl.obolibrary.org/obo/CHEBI_45863 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_45863 GO-PLUS SAME_URI
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http://www.co-ode.org/ontologies/galen#Paclitaxel GALEN LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148314 NDFRT LOOM
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http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.426.392.368.242.888.777 RH-MESH LOOM
http://id.loc.gov/authorities/subjects/sh92003700 FAST-TOPICAL LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039762 PDQ LOOM