Compound	alphitolic acid
NPACT-Id	NPACT01127
IUPAC	-
Synonyms	Lup-20(29)-en-28-oic acid, 2,3-dihydroxy-;(1R,3aS,5aS,5bR,9R,10R,11aR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid;
PubChem Id	470606
Class	Terpenoids
In-vitro anticancer activtiy	6 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	GLI1 \| All \|
Properties	Physical Elemental Topological
InChi Key	YVFUWFRLVWFNLF-LAYMWGLGSA-N
InChi	1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1
SMILES	O[C@@H]1C(C2[C@@](C3[C@]([C@]4(C(=CC3)C3[C@@](CC4)(CC[C@H]3C(=C)C)C(=O)O)C)(CC2)C)(C[C@H]1O)C)(C)C
SMART	[H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]([H])(C(=C(/[H])[H])C([H])([H])[H])[C@@]1([H])C1=C([H])C([H])([H])[C@@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase