Compound	Schweinfurthin B
NPACT-Id	NPACT00940
IUPAC	(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
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	643463
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	UPTXDGJFJGCFDE-NASSATPLSA-N
InChi	1S/C35H46O6/c1-21(2)9-8-10-22(3)11-14-26-27(36)16-24(17-28(26)37)13-12-23-15-25-19-31-34(4,5)33(39)29(38)20-35(31,6)41-32(25)30(18-23)40-7/h9,11-13,15-18,29,31,33,36-39H,8,10,14,19-20H2,1-7H3/b13-12+,22-11+/t29-,31-,33-,35-/m1/s1
SMILES	O1[C@]2([C@@H](C([C@H](O)[C@H](O)C2)(C)C)Cc2c1c(OC)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])C3=C(O[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])C3([H])[H])C(OC([H])([H])[H])=C2[H])=C([H])C(O[H])=C1C([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]
CAS No.	217476-93-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C117233
	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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