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CHEBI:66664 - manassantin B
| Formula | C41H48O11 |
| Net Charge | 0 |
| Average Mass | 716.824 |
| Monoisotopic Mass | 716.31966 |
| SMILES | COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saururus cernuus (ncbitaxon:13260) | - | DOI (10.1016/S0040-4039(01)99818-1) | |
| Saururus chinensis (ncbitaxon:54806) | root (BTO:0001188) | PubMed (14750033) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Xrefs | Databases |
|---|---|
| US2010256228 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10509965 | Reaxys |
| Citations |
|---|