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CHEBI:45863 - paclitaxel
| Formula | C47H51NO14 |
| Net Charge | 0 |
| Average Mass | 853.918 |
| Monoisotopic Mass | 853.33096 |
| SMILES | [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@]12OC(C)=O)C3(C)C |
| InChI | 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 |
| InChIKey | RCINICONZNJXQF-MZXODVADSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Paraconiothyrium (ncbitaxon:300251) | - | PubMed (22103292) | An endophytic fungus in branches of Taxus media plants Strain: SSM001 |
| Taxomyces andreanae (ncbitaxon:1117664) | - | PubMed (22103292) | An endophytic fungus living within the inner tissues of Taxus brevifolia |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. microtubule-stabilising agent Any substance that interacts with tubulin to promote polymerisation of microtubules. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antirheumatic drug A drug used to treat rheumatoid arthritis. antipsoriatic A drug used to treat psoriasis. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| paclitaxel (CHEBI:45863) has functional parent baccatin III (CHEBI:32898) |
| paclitaxel (CHEBI:45863) has role analgesic (CHEBI:35480) |
| paclitaxel (CHEBI:45863) has role anti-anaemic agent (CHEBI:75835) |
| paclitaxel (CHEBI:45863) has role anti-HIV agent (CHEBI:64946) |
| paclitaxel (CHEBI:45863) has role antineoplastic agent (CHEBI:35610) |
| paclitaxel (CHEBI:45863) has role antineoplastic agent (CHEBI:35610) |
| paclitaxel (CHEBI:45863) has role antipsoriatic (CHEBI:50748) |
| paclitaxel (CHEBI:45863) has role antirheumatic drug (CHEBI:35842) |
| paclitaxel (CHEBI:45863) has role antiviral agent (CHEBI:22587) |
| paclitaxel (CHEBI:45863) has role human metabolite (CHEBI:77746) |
| paclitaxel (CHEBI:45863) has role metabolite (CHEBI:25212) |
| paclitaxel (CHEBI:45863) has role microtubule-stabilising agent (CHEBI:61950) |
| paclitaxel (CHEBI:45863) is a organic molecular entity (CHEBI:50860) |
| paclitaxel (CHEBI:45863) is a taxane diterpenoid (CHEBI:50367) |
| paclitaxel (CHEBI:45863) is a tetracyclic diterpenoid (CHEBI:52557) |
| Incoming Relation(s) |
| 6-hydroxypaclitaxel (CHEBI:63859) has functional parent paclitaxel (CHEBI:45863) |
| IUPAC Name |
|---|
| 4α,10β-bis(acetyloxy)-13α-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7β-dihydroxy-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate |
| Synonyms | Source |
|---|---|
| (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 | ChemIDplus |
| 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 | ChemIDplus |
| BMS 181339-01 | ChEMBL |
| BMS-181339-01 | ChEMBL |
| DHP 107 | ChEMBL |
| DHP-107 | ChEMBL |
| Brand Names | Source |
|---|---|
| Apealea | ChEMBL |
| Apexelsin | ChEMBL |
| Naveruclif | ChEMBL |
| Pacitaxel | ChEMBL |
| Paclitaxel component of abi 007 | ChEMBL |
| Paclitaxel component of abraxane | ChEMBL |
| UniProt Name | Source |
|---|---|
| paclitaxel | UniProt |
| Registry Numbers | Sources |
|---|---|
| CAS:33069-62-4 | ChemIDplus |
| CAS:33069-62-4 | KEGG COMPOUND |
| Citations |
|---|