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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_45863
http://purl.obolibrary.org/obo/CHEBI_45863
|
|---|---|
| Preferred Name | paclitaxel |
| Synonyms |
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
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
TAXOL
C47H51NO14
Paclitaxel
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
(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
taxol
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | paclitaxel
|
|---|---|
| label | paclitaxel
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| DBSynonym |
7-epipaclitaxel
7-epi-paclitaxel
paclitaxel (conventional)
taxol
7-epitaxol
abi-007
7-epi-taxol
conventional paclitaxel
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| ATCCode | L01CD01
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| 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.
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| altId |
CHEBI:7887
CHEBI:45862
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| has effect |
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| has pharmacological target | |
| induces | |
| inhibits |
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| type | |
| has role | |
| InChIKey | InChIKey=RCINICONZNJXQF-MZXODVADSA-N
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| is metabolised by | |
| AHFScode | 10:00.00
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| imported from | |
| Synonym | 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
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
TAXOL
C47H51NO14
Paclitaxel
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
(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
taxol
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| xref |
Wikipedia:Paclitaxel
ChEBI:7887
PubChem Substance:46506910
Drugs.com:http://www.drugs.com/cdi/paclitaxel.html
PharmGKB:PA450761
IUPHAR:2770
Drugs Product Database (DPD):2244372
RxList:http://www.rxlist.com/cgi/generic/paclitaxel.htm
PubChem Compound:36314
ChEMBL:108062
ChemSpider:33395
National Drug Code Directory:0703-4764-01
Wikipedia:http://en.wikipedia.org/wiki/Paclitaxel
Guide To Pharmacology:2770
KEGG COMPOUND:C07394
CASRN:33069-62-4
KEGG DRUG:D00491
DrugBank:DB01229
PDBeChem:TA1
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| CASRN | 33069-62-4
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| prefixIRI | obo2:CHEBI_45863
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| is transported by | |
| related with | |
| SMILES | [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
[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
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| DBname | paclitaxel
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| 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
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| DBBrand |
onxol
abraxane
paxceed
paxene
vascular wrap
epitaxol
taxol a
taxol
xorane
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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