BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

taxol

Synonyms
Definitions

Antineoplastic agent isolated from the bark of the Pacific yew tree, Taxus brevifolia. Note that the use of the name taxol is now limited, as Taxol is a registered trade mark.

ID

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

alternative term

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

Paclitaxel

InChIKey=RCINICONZNJXQF-MZXODVADSA-N

C47H51NO14

[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

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

(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

Taxol A

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

definition

Antineoplastic agent isolated from the bark of the Pacific yew tree, Taxus brevifolia. Note that the use of the name taxol is now limited, as Taxol is a registered trade mark.

has functional parent

http://purl.obolibrary.org/obo/CHEBI_32898

has role

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

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

label

taxol

prefixIRI

CHEBI:45863

prefLabel

taxol

subClassOf

http://purl.obolibrary.org/obo/CHEBI_52557

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