phellamurin
Facts
8 properties- Instance of
- type of chemical entity
- Canonical SMILES
- CC(=CCC1=C(C=C(C2=C1OC(C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C
- Chemical formula
- C₂₆H₃₀O₁₁
- Found in taxon
- Commiphora africana, Phellodendron chinense, Phellodendron chinense var. glabriusculum, Phellodendron amurense var. wilsonii
- Isomeric SMILES
- CC(=CCC1=C(C=C(C2=C1O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
- Mass
- +518.178812
- Stereoisomer of
- (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- CAS Registry Number
- 52589-11-4
- ChEBI ID
- 8048
- ChEMBL ID
- CHEMBL516116
- ChemSpider ID
- 168247
- DSSTOX compound identifier
- DTXCID30123054
- DSSTox substance ID
- DTXSID00200563
- Freebase ID
- /m/07k4gmx
- InChIKey
- GRDZTDZJQRPNCN-YIANMRPHSA-N
- KEGG ID
- C09808
- KNApSAcK ID
- C00000989
- Microsoft Academic ID (discontinued)
- 2776728135
Show all 19 identifiers +7
- Probes And Drugs ID
- PD162344
- PubChem CID
- 193876
- Reaxys registry number
- 9458481
- UNII
- UXB86HY2NK
- UniChem compound ID
- 604600
Found in taxon 2
0 sources
Summary
phellamurin is a type of chemical entity[1]. phellamurin is a type of 3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one[2].
Key Facts
- Canonical SMILES: CC(=CCC1=C(C=C(C2=C1OC(C(C2=O)O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C[3]
- Chemical formula: C₂₆H₃₀O₁₁[4]
- Found in taxon: Commiphora africana[5], Phellodendron chinense[6], Phellodendron chinense var. glabriusculum[7], Phellodendron amurense var. wilsonii[8]
- Isomeric SMILES: CC(=CCC1=C(C=C(C2=C1OC@@HC3=CC=C(C=C3)O)O)O[C@H]4C@@HO)CC@@HC3=CC=C(C=C3)O)O)O[C@H]4C@@HO)C">[9]
- Mass: 518.178812 dalton[10]
- Stereoisomer of: (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one[11]