a a

Compound	Andrographolide
NPACT-Id	NPACT01129
IUPAC	-
Synonyms	Andrographis;(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one;bisandrographolide
PubChem Id	5318517
Class	Terpenoids
In-vitro anticancer activtiy	10 cancer cell lines
In-Vivo anticancer activtiy	Yes
Targets	BAX \| BID \| CASP3 \| CASP7 \| CASP8 \| CDK4 \| IL2 \| PSMD9 \| TNF \| All \|
Properties	Physical Elemental Topological
InChi Key	BOJKULTULYSRAS-OTESTREVSA-N
InChi	1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
SMILES	O[C@H]1[C@]([C@@H]2[C@]([C@@H](C(=C)CC2)C/C=C/2[C@H](O)COC2=O)(CC1)C)(CO)C
SMART	[H]OC([H])([H])[C@]1(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C(=C(/[H])[H])C([H])([H])C([H])([H])[C@]12[H])C([H])([H])C([H])=C1C(=O)OC([H])([H])[C@@]1([H])O[H]
CAS No.	5508-58-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C030419
	HIT	C0325
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, Ambinter, ChemMol, MolPort, 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