Compound	Pongapinone B
NPACT-Id	NPACT01297
IUPAC	-
Synonyms	(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one;4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-5,7-dimethoxy-8-(3-methyl-2-butenyl)-, (S)-
PubChem Id	127022
Class	Benzopyranoids
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	NQO1 \| All \|
Properties	Physical Elemental Topological
InChi Key	QNKSZZRDFRCBNL-SFHVURJKSA-N
InChi	1S/C23H24O6/c1-13(2)5-7-15-19(25-3)11-21(26-4)22-16(24)10-18(29-23(15)22)14-6-8-17-20(9-14)28-12-27-17/h5-6,8-9,11,18H,7,10,12H2,1-4H3/t18-/m0/s1
SMILES	O1[C@@H](CC(=O)c2c1c(CC=C(C)C)c(OC)cc2OC)c1cc2OCOc2cc1
SMART	[H]C(=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C2O[C@]([H])(C3=C([H])C4=C(OC([H])([H])O4)C([H])=C3[H])C([H])([H])C(=O)C2=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H]
CAS No.	146713-94-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C077816
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
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