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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
paclitaxel [CHEBI:45863] (1)
paclitaxel [CHEBI:45863] (1)
05. Industrial Uses
05. Industrial Uses
paclitaxel [CHEBI:45863] (1)
08. Chemical Category
08. Chemical Category
paclitaxel [CHEBI:45863] (1)
paclitaxel [CHEBI:45863] (1)
paclitaxel [CHEBI:45863] (1)
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