Compound	Sulphurenic acid
NPACT-Id	NPACT00964
IUPAC	2-(3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid
Synonyms	-
PubChem Id	5321559
Class	Terpenoids
In-vitro anticancer activity	10 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	XZEKQUYJGSOILA-UHFFFAOYSA-N
InChi	1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)
SMILES	O[C@@H]1[C@]2([C@@]([C@@H](C1)[C@H](CCC(=C)C(C)C)C(=O)O)(CCC1=C2CC[C@H]2[C@]1(CC[C@@H](O)C2(C)C)C)C)C
SMART	[H]OC(=O)[C@@]([H])(C([H])([H])C([H])([H])C(=C([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])[C@]([H])(O[H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C3([H])[H])C([H])([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