Compound	Auraptene
NPACT-Id	NPACT00300
IUPAC	5,6,7-trihydroxy-2-phenylchromen-4-one
Synonyms	7-Geranyloxycoumarin
PubChem Id	1550607
Class	Benzopyranoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	CCND1 \| COX-2 \| PTGER3 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	RSDDHGSKLOSQFK-RVDMUPIBSA-N
InChi	1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
SMILES	O(C/C=C(/CCC=C(C)C)C)c1cc2oc(=O)ccc2cc1
SMART	[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])OC1=C([H])C2=C(C([H])=C([H])C(=O)O2)C([H])=C1[H])C([H])([H])[H]
CAS No.	495-02-3
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C105832
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemBridge, MolPort, ZINC,
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