Compound	3-isomangostin
NPACT-Id	NPACT01029
IUPAC	3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
Synonyms	0
PubChem Id	10048103
Class	Simple aromatic natural products
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	KCMPFWGUVNEDHW-UHFFFAOYSA-N
InChi	1S/C24H26O7/c1-11(2)6-7-12-19-16(9-14(25)23(12)29-5)30-17-10-15-13(21(27)20(17)22(19)28)8-18(26)24(3,4)31-15/h6,9-10,18,25-27H,7-8H2,1-5H3
SMILES	O1C(C(O)Cc2c1cc1oc3c(c(=O)c1c2O)c(CC=C(C)C)c(OC)c(O)c3)(C)C
SMART	[#6]OC1=C(CC=C([#6])[#6])C2=C(OC3=CC4=C(CC(O)C([#6])([#6])O4)C(O)=C3C2=O)C=C1O
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C114655
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
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