CHEBI:66663 - manassantin A

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ChEBI Name manassantin A
ChEBI ID CHEBI:66663
Definition A lignan isolated from Saururus cernuus and Saururus chinensis and has been shown to exhibit antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H52O11
Net Charge 0
Average Mass 732.85570
Monoisotopic Mass 732.35096
InChI InChI=1S/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25-,26-,39+,40+,41+,42+/m1/s1
InChIKey ZGXXNVOBEIRACL-VOGCUZRYSA-N
SMILES COc1ccc(cc1OC)[C@@H](O)[C@@H](C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1
Metabolite of Species Details
Saururus cernuus (NCBI:txid13260) See: DOI
Saururus chinensis (NCBI:txid54806) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing manassantin A (CHEBI:66663) has role antineoplastic agent (CHEBI:35610)
manassantin A (CHEBI:66663) has role metabolite (CHEBI:25212)
manassantin A (CHEBI:66663) is a dimethoxybenzene (CHEBI:51681)
manassantin A (CHEBI:66663) is a lignan (CHEBI:25036)
manassantin A (CHEBI:66663) is a oxolanes (CHEBI:26912)
manassantin A (CHEBI:66663) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,2R,1'R,2'R)-2,2'-{[(2S,3R,4R,5S)-3,4-dimethyltetrahydrofuran-2,5-diyl]bis[(2-methoxybenzene-4,1-diyl)oxy]}bis[1-(3,4-dimethoxyphenyl)propan-1-ol]
Manual Xref Database
KR20120004393 Patent
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Registry Numbers Types Sources
10510058 Reaxys Registry Number Reaxys
88497-87-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14750033 PubMed citation Europe PMC
15742809 PubMed citation Europe PMC
17107051 PubMed citation Europe PMC
19423348 PubMed citation Europe PMC
21569106 PubMed citation Europe PMC
22040894 PubMed citation Europe PMC
23281069 PubMed citation Europe PMC
Last Modified
03 April 2013