CHEBI:66664 - manassantin B

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ChEBI Name manassantin B
ChEBI ID CHEBI:66664
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 C41H48O11
Net Charge 0
Average Mass 716.81320
Monoisotopic Mass 716.31966
InChI InChI=1S/C41H48O11/c1-22-23(2)41(29-12-16-33(36(20-29)47-8)51-25(4)39(43)27-10-14-31-37(18-27)49-21-48-31)52-40(22)28-11-15-32(35(19-28)46-7)50-24(3)38(42)26-9-13-30(44-5)34(17-26)45-6/h9-20,22-25,38-43H,21H2,1-8H3/t22-,23-,24-,25-,38+,39+,40+,41+/m1/s1
InChIKey GSWZMFDCPMPHDL-FZBBBUCASA-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)c2ccc3OCOc3c2)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 B (CHEBI:66664) has role antineoplastic agent (CHEBI:35610)
manassantin B (CHEBI:66664) has role metabolite (CHEBI:25212)
manassantin B (CHEBI:66664) is a benzodioxoles (CHEBI:38298)
manassantin B (CHEBI:66664) is a dimethoxybenzene (CHEBI:51681)
manassantin B (CHEBI:66664) is a lignan (CHEBI:25036)
manassantin B (CHEBI:66664) is a oxolanes (CHEBI:26912)
manassantin B (CHEBI:66664) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,2R)-1-(1,3-benzodioxol-5-yl)-2-{4-[(2S,3R,4R,5S)-5-(4-{[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl]-2-methoxyphenoxy}propan-1-ol
Manual Xref Database
US2010256228 Patent
View more database links
Registry Number Type Source
10509965 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14750033 PubMed citation Europe PMC
16258248 PubMed citation Europe PMC
19898804 PubMed citation Europe PMC
19900481 PubMed citation Europe PMC
22379572 PubMed citation Europe PMC
22863119 PubMed citation Europe PMC
Last Modified
03 April 2013