Compound	Mollugin
NPACT-Id	NPACT00775
IUPAC	methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Synonyms	Rubimaillin;Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate;2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester
PubChem Id	124219
Class	Polycyclic aromatic natural products
In-vitro anticancer activtiy	3 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	VLGATXOTCNBWIT-UHFFFAOYSA-N
InChi	1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
SMILES	O1C(C=Cc2c1c1c(c(O)c2C(=O)OC)cccc1)(C)C
SMART	[H]OC1=C(C(=O)OC([H])([H])[H])C2=C(O[C@](C([H])=C2[H])(C([H])([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12
CAS No.	55481-88-4
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C046245
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, ChemFrog, ChemMol, IS Chemical Technology, ZINC,
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