Compound	Calyxins I
NPACT-Id	NPACT00384
IUPAC	-
Synonyms	-
PubChem Id	10327269
Class	Flavonoid
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	UJEBJUQQVRWYAG-SOFNOPICSA-N
InChi	1S/C42H38O9/c1-49-36-23-35(48)37-33-22-32(20-6-24-2-12-28(43)13-3-24)50-40(26-8-16-30(45)17-9-26)38(33)41(27-10-18-31(46)19-11-27)51-42(37)39(36)34(47)21-7-25-4-14-29(44)15-5-25/h2-5,7-19,21,23,32-33,38,40-41,43-46,48H,6,20,22H2,1H3/b21-7+/t32-,33-,38-,40
SMILES	O1[C@@H]([C@@H]2[C@@H](C[C@@H]1CCc1ccc(O)cc1)c1c(O[C@H]2c2ccc(O)cc2)c(c(OC)cc1O)C(=O)/C=C/c1ccc(O)cc1)c1ccc(O)cc1
SMART	[H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)C2=C3O[C@@]([H])(C4=C([H])C([H])=C(O[H])C([H])=C4[H])[C@]4([H])[C@]([H])(O[C@@]([H])(C([H])([H])C([H])([H])C5=C([H])C([H])=C(O[H])C([H])=C5[H])C([H])([H])[C@@]4([H])C3=C(O[H])C([H])=C2OC([H])([H])[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H]
CAS No.	252060-65-4
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C410688
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase