Compound	Schweinfurthin A
NPACT-Id	NPACT00939
IUPAC	(2S,3R,4aR,9aR)-7-((E)-2-{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl)-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3,5-triol ;(2S,3R,4aR,9aR)-;7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol 1H-xanthene-2,3,5-triol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)- ;1H-Xanthene-2,5-triol, 2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl- 7-[2-[3,5-dihydroxy-4-(5,7-dimethyl- 2,6-octadienyl)phenyl]ethenyl]-
Synonyms	(2S,3R,4aR,9aR)-7-((E)-2-{4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl}vinyl)-5-methoxy-1,1,4a-trimethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthene-2,3-diol; (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol; 1H-xanthene-2,3-diol, 7-[(E)-2-[4-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxyphenyl]ethenyl]-2,3,4,4a,9,9a-hexahydro-5-methoxy-1,1,4a-trimethyl-, (2S,3R,4aR,9aR)-
PubChem Id	643462
Class	Simple aromatic natural products
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	HSDZWMOBUPRZEU-LXYWBZBZSA-N
InChi	1S/C34H44O6/c1-20(2)8-7-9-21(3)10-13-25-26(35)15-23(16-27(25)36)12-11-22-14-24-18-30-33(4,5)32(39)29(38)19-34(30,6)40-31(24)28(37)17-22/h8,10-12,14-17,29-30,32,35-39H,7,9,13,18-19H2,1-6H3/b12-11+,21-10+/t29-,30-,32-,34-/m1/s1
SMILES	O1[C@]2([C@@H](C([C@H](O)[C@H](O)C2)(C)C)Cc2c1c(O)cc(c2)/C=C/c1cc(O)c(c(O)c1)C/C=C(/CCC=C(C)C)C)C
SMART	[H]OC1=C([H])C(C([H])=C(/[H])C2=C([H])C(O[H])=C(C(O[H])=C2[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C([H])C2=C1O[C@]1(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@@]1([H])C2([H])[H]
CAS No.	217476-92-1
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C117232
	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

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