Compound	Bursehernin
NPACT-Id	NPACT00358
IUPAC	(2S)-5,7-dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Synonyms	(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
PubChem Id	94504
Class	Lignans
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	IYBDDRJHJMFFBB-JKSUJKDBSA-N
InChi	1S/C21H22O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m0/s1
SMILES	O1C[C@@H]([C@@H](Cc2cc(OC)c(OC)cc2)C1=O)Cc1cc2OCOc2cc1
SMART	[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C([H])([H])[C@@]1([H])C([H])([H])OC(=O)[C@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.	40456-51-7
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C023816
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, Kingston Chemistry,
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