The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Jump to:
Id http://purl.obolibrary.org/obo/CHEBI_4672
http://purl.obolibrary.org/obo/CHEBI_4672
Preferred Name

docetaxel anhydrous
Synonyms
N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol
4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate
TXL
Docetaxel anhydrous
C43H53NO14
(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
Docetaxel
Type http://www.w3.org/2002/07/owl#Class

All Properties

label
docetaxel anhydrous
prefLabel
docetaxel anhydrous
is metabolised by
is transported by
Definition
A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.
DBBrand
taxotere
docefrez
ATCCode
L01CD02
SMILES
[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1
[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1
InChI
InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
CASRN
114977-28-5
prefixIRI
obo2:CHEBI_4672
Synonym
N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol
4-(acetyloxy)-13alpha-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7beta,10beta-trihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate
TXL
Docetaxel anhydrous
C43H53NO14
(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
Docetaxel
See more
See less
binds
has role
DBname
docetaxel
InChIKey
InChIKey=ZDZOTLJHXYCWBA-VCVYQWHSSA-N
subClassOf
may interact with
inhibits
related with
induces
is substrate of
type
xref
ChemSpider:130581
Wikipedia:Docetaxel
ChEMBL:109097
Drugs Product Database (DPD):2177080
DrugBank:DB01248
PubChem Compound:148124
Wikipedia:http://en.wikipedia.org/wiki/Docetaxel
RxList:http://www.rxlist.com/cgi/generic3/docetaxel.htm
KEGG DRUG:D07866
PubChem Substance:46506766
CASRN:114977-28-5
PharmGKB:PA449383
Patent:EP253738
Beilstein:4290183
Patent:US4814470
KEGG COMPOUND:C11231
Drugs.com:http://www.drugs.com/cdi/docetaxel.html
ChEBI:4672
National Drug Code Directory:0075-8001-80
See more
See less
DBSynonym
docetaxel, trihydrate
docetaxel anhydrous
rp-6976
txl
AHFScode
10:00.00
has pharmacological target
Add comment
Add proposal
Delete Subject Author Type Created
No notes to display