CHEBI:63859 - 6-hydroxypaclitaxel

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ChEBI Name 6-hydroxypaclitaxel ChEBI ID CHEBI:63859 Definition A taxane diterpenoid that consists of paclitaxel bearing an additional hydroxy substituent at the 6α-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C47H51NO15 Net Charge 0 Average Mass 869.90550 Monoisotopic Mass 869.32587 InChI InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1 InChIKey NDCWHEDPSFRTDA-FJMWQILYSA-N 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@H](O)[C@H]1OC[C@@]21OC(C)=O)C3(C)C Roles Classification Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 6-hydroxypaclitaxel (CHEBI:63859) has functional parent paclitaxel (CHEBI:45863) 6-hydroxypaclitaxel (CHEBI:63859) has role antineoplastic agent (CHEBI:35610) 6-hydroxypaclitaxel (CHEBI:63859) is a taxane diterpenoid (CHEBI:50367) 6-hydroxypaclitaxel (CHEBI:63859) is a tetracyclic diterpenoid (CHEBI:52557) IUPAC Name (2α,5β,6α,7β,10β,13α)-4,10-diacetoxy-13-{[(2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,6,7-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate Synonyms Sources 6-hydroxytaxol ChEBI 6α-hydroxypaclitaxel ChEBI 6α-hydroxytaxol ChEBI Registry Numbers Types Sources 153212-75-0 CAS Registry Number ChemIDplus 8105272 Reaxys Registry Number Reaxys Last Modified 07 February 2012