loading...| Preferred Name |
dicerandrol C |
| Synonyms |
(5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-bis[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene-5,5'-diyl diacetate |
| Definitions |
A biaryl that is 5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene substituted by acetyloxy groups at C-5 and C-5', (acetyloxy)methyl group at C-10a and C-10a', hydroxy groups at C-1, C-1', C-8 and C-8', methyl groups at C-6 and C-6' and oxo groups at C-9 and C-9' respectively. A dimeric tetrahydroxanthone derivative isolated from Phomopsis longicolla, it exhibits antibacterial and cytotoxic activities. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_65766 |
| charge |
0 |
| database_cross_reference |
PMID:11520215 Reaxys:8965881 Chemspider:10213918 |
| definition |
A biaryl that is 5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene substituted by acetyloxy groups at C-5 and C-5', (acetyloxy)methyl group at C-10a and C-10a', hydroxy groups at C-1, C-1', C-8 and C-8', methyl groups at C-6 and C-6' and oxo groups at C-9 and C-9' respectively. A dimeric tetrahydroxanthone derivative isolated from Phomopsis longicolla, it exhibits antibacterial and cytotoxic activities. |
| formula |
C38H38O16 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_33281 |
| has_exact_synonym |
(5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-bis[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene-5,5'-diyl diacetate |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:65766 |
| in_subset | |
| inchi |
InChI=1S/C38H38O16/c1-15-11-23(43)29-33(47)27-25(53-37(29,13-49-17(3)39)35(15)51-19(5)41)9-7-21(31(27)45)22-8-10-26-28(32(22)46)34(48)30-24(44)12-16(2)36(52-20(6)42)38(30,54-26)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1 |
| inchikey |
LYWOIRXBEDUAPM-ACMZUNAXSA-N |
| label |
dicerandrol C |
| mass |
750.69870 |
| monoisotopicmass |
750.21599 |
| notation |
CHEBI:65766 |
| prefLabel |
dicerandrol C |
| smiles |
C[C@@H]1CC(O)=C2C(=O)c3c(O[C@]2(COC(C)=O)[C@@H]1OC(C)=O)ccc(c3O)-c1ccc2O[C@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](C)CC(O)=C3C(=O)c2c1O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_64459 http://purl.obolibrary.org/obo/CHEBI_47622 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_64459 http://purl.obolibrary.org/obo/CHEBI_47622 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C436331 | Medical Subject Headings / 医学主题词表 | LOOM |