Compound	Panduratin A
NPACT-Id	NPACT00841
IUPAC	(2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
Synonyms	-
PubChem Id	6483648
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	MMP9 \| NFKB1 \| PLAU \| All \|
Properties	Physical Elemental Topological
InChi Key	LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
InChi	1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
SMILES	O=C([C@@H]1[C@@H](C(=CC[C@H]1c1ccccc1)C)CC=C(C)C)c1c(O)cc(OC)cc1O
SMART	[H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(O[H])=C1C(=O)[C@]1([H])[C@@]([H])(C(=C([H])C([H])([H])[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C482884
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase