a a

Compound	Tectoridin
NPACT-Id	NPACT01347
IUPAC	-
Synonyms	Shekanin;4',5-Dihydro-6-methoxy-7-(o-glucoside)isoflavone;4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-;
PubChem Id	5281810
Class	Flavonoid
In-vitro anticancer activtiy	4 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	AKR1C3 \| KLK3 \| SPDEF \| All \|
Properties	Physical Elemental Topological
InChi Key	CNOURESJATUGPN-UDEBZQQRSA-N
InChi	1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1
SMILES	O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1c(OC)c(O)c2c(occ(c2=O)c2ccc(O)cc2)c1)CO
SMART	[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])=C(OC([H])([H])[H])C(O[H])=C2C1=O
CAS No.	611-40-5
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C120040
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemMol, IS Chemical Technology, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	Yes
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase