Compound	Bisabolone
NPACT-Id	NPACT00338
IUPAC	[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-6-methoxyphenyl]-[(2R,3R,4S,6S)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-[2-(4-hydroxyphenyl)ethyl]oxan-3-yl]methanone
Synonyms	-
PubChem Id	6429340
Class	Terpenoids
In-vitro anticancer activtiy	4 cancer cell lines
In-Vivo anticancer activtiy	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	FFZCGQYOMOOQNB-UHFFFAOYSA-N
InChi	1S/C15H26O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5,11,13-14H,6-10H2,1-4H3
SMILES	O=C(CC[C@H]([C@@H]1CCC(=CC1)C)C)C(C)C
SMART	[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@@]([H])(C([H])([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	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