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paclitaxel
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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03. Biological Effects of Specific Chemicals: pharmacological uses [CHEBI:52210]
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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > antineoplastic agent [CHEBI:35610]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 paclitaxel [CHEBI:45863] (1)
 pharmacological uses [CHEBI:52210] (736) 
 tubulin modulator [CHEBI:60832] (12) 
 microtubule-stabilising agent [CHEBI:61950] (3) 
 paclitaxel [CHEBI:45863] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 paclitaxel [CHEBI:45863] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 taxane diterpenoid [CHEBI:50367] (11) 
 paclitaxel [CHEBI:45863] (1)
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 paclitaxel [CHEBI:45863] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 taxane diterpenoid [CHEBI:50367] (11) 
 paclitaxel [CHEBI:45863] (1)
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 paclitaxel [CHEBI:45863] (1)
ChEBI Compound Accession Identifier  [CHEBI:45863]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  45863
ChEBI InChI Value  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
ChEBI InChIKey Value  RCINICONZNJXQF-MZXODVADSA-N
ChEBI Compound Name  paclitaxel
ChEBI SMILES Value  [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
ChEBI Substance ID  26697100
ChEBI URL  ChEBI:45863
ChemSpider ID  10368587
Ontomatica Chemical Accession Key (OnChAKey)  RCINICONZNJXQF_MZXODVADSA_N_000_000000
PubChem Compound ID  36314