act-001 (CHEBI:754922)

CHEBI:754922 - act-001

Formula	C17H27NO3
Net Charge	0
Average Mass	293.407
Monoisotopic Mass	293.19909
SMILES	[H][C@]12OC(=O)[C@@H](CN(C)C)[C@]1([H])CCC(C)=C1CC[C@@](C)(O)[C@@]12[H]
InChI	InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/t12-,13-,14-,15-,17+/m0/s1
InChIKey	ZPBIJIIQXPRJSS-WNZSCWOMSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	act-001 (CHEBI:754922) has role antineoplastic agent (CHEBI:35610)
	act-001 (CHEBI:754922) is a γ-lactone (CHEBI:37581)

Synonyms	Source
Act-001	ChEMBL
ACT001	ChEMBL

Citations