bms-188797 (CHEBI:749144)

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CHEBI:749144 - bms-188797

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ChEBI ID	CHEBI:749144
ChEBI Name	bms-188797
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C47H51NO15
Net Charge	0
Average Mass	869.917
Monoisotopic Mass	869.32587
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(=O)OC)C3(C)C
InChI	InChI=1S/C47H51NO15/c1-25-30(61-42(55)35(51)34(27-16-10-7-11-17-27)48-40(53)28-18-12-8-13-19-28)23-47(57)39(62-41(54)29-20-14-9-15-21-29)37-45(5,38(52)36(60-26(2)49)33(25)44(47,3)4)31(50)22-32-46(37,24-59-32)63-43(56)58-6/h7-21,30-32,34-37,39,50-51,57H,22-24H2,1-6H3,(H,48,53)/t30-,31-,32+,34-,35+,36+,37-,39-,45+,46-,47+/m0/s1
InChIKey	GMJWGJSDPOAZTP-MIDYMNAOSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	bms-188797 (CHEBI:749144) has role antineoplastic agent (CHEBI:35610)
	bms-188797 (CHEBI:749144) is a taxane diterpenoid (CHEBI:50367)

Synonyms	Source
4-desacetylpaclitaxel 4-methyl carbonate	ChEMBL
Bms-188797	ChEMBL

Citations