Compound	Poncirin
NPACT-Id	NPACT00878
IUPAC	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,45-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Synonyms	Isosakuranetin-7-neohesperidoside
PubChem Id	442456
Class	Flavonoid
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	BAX \| BCL2L1 \| CASP3 \| CCNB1 \| CDC25C \| CDK1 \| PARP1 \| All \|
Properties	Physical Elemental Topological
InChi Key	NLAWPKPYBMEWIR-SKYQDXIQSA-N
InChi	1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES	O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1Oc1cc2O[C@@H](CC(=O)c2c(O)c1)c1ccc(OC)cc1)CO)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C
SMART	[H]OC1=C2C(O[C@]([H])(C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])([H])C2=O)=C([H])C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])=C1[H]
CAS No.	14941-08-3
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C119641
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, R&D Chemicals, Sigma-Aldrich,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

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