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docetaxel anhydrous
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.


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > photosensitizing agent [CHEBI:47868]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 antimicrobial agent [CHEBI:33281] (927) 
 antimicrobial drug [CHEBI:36043] (169) 
 antiprotozoal drug [CHEBI:35820] (168) 
 antimalarial [CHEBI:38068] (89) 
 docetaxel anhydrous [CHEBI:4672] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 docetaxel anhydrous [CHEBI:4672] (1)
 photosensitizing agent [CHEBI:47868] (22) 
 docetaxel anhydrous [CHEBI:4672] (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) 
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 docetaxel anhydrous [CHEBI:4672] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 diterpenoid [CHEBI:23849] (265) 
 tetracyclic diterpenoid [CHEBI:52557] (25) 
 docetaxel anhydrous [CHEBI:4672] (1)
ChEBI Compound Accession Identifier  [CHEBI:4672]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  4672
ChEBI InChI Value  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
ChEBI InChIKey Value  ZDZOTLJHXYCWBA-VCVYQWHSSA-N
ChEBI Compound Name  docetaxel anhydrous
ChEBI SMILES Value  [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
ChEBI Substance ID  99319097
ChEBI URL  ChEBI:4672
ChemSpider ID  130581
Ontomatica Chemical Accession Key (OnChAKey)  ZDZOTLJHXYCWBA_VCVYQWHSSA_N_000_000000
PubChem Compound ID  148124