Compound	Costunolide
NPACT-Id	NPACT00441
IUPAC	2-methylphenol; 3-methylphenol; 4-methylphenol
Synonyms	Costus lactone
PubChem Id	5281437
Class	Terpenoids
In-vitro anticancer activtiy	5 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	CASP3 \| CASP8 \| CCNB1 \| CDK1 \| CDKN1A \| Fas \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	HRYLQFBHBWLLLL-AHNJNIBGSA-N
InChi	1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
SMILES	O1[C@H]2[C@@H](CCC(=CCCC(=C2)C)C)C(=C)C1=O
SMART	[H]C([H])=C1/C(=O)O[C@]2([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H]
CAS No.	553-21-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C002602
	HIT	C0359
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemMol, IS Chemical Technology, MolPort,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	Yes
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase