Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007248
PROPERTIES
| NPAID | NPA007248 |
|---|---|
| CLUSTER ID | 3253 |
| NODE ID | 2475 |
| NAME | Phellodonin |
| FORMULA | C39H42N2O15 |
| MOLECULAR WEIGHT (Da) | 778.7640 |
| ACCURATE MASS (Da) | 778.2585 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phellodon |
| ORIGIN SPECIES | niger |
| InChIKey | GQLWSFYVCYCATH-MLQZITJWSA-N |
| InChI | InChI=1S/C39H42N2O15/c1-10-19(3)32(40-50-9)37(47)41(49)39(20(4)11-2)38(48)55-28-17-14-26(18-29(28)56-39)31-35(53-23(7)44)33(51-21(5)42)30(25-12-15-27(46)16-13-25)34(52-22(6)43)36(31)54-24(8)45/h12-20,46,49H,10-11H2,1-9H3/b40-32-/t19-,20-,39?/m0/s1 |
| SMILES | CC[C@H](C)/C(=N/OC)C(=O)N(O)C1([C@@H](C)CC)OC2=C(C=CC(C3=C(OC(C)=O)C(OC(C)=O)=C(C4=CC=C(O)C=C4)C(OC(C)=O)=C3OC(C)=O)=C2)OC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fang, Sheng-Tao; Zhang, Ling; Li, Zheng-Hui; Li, Bo; Liu, Ji-Kai Cyathane diterpenoids and nitrogenous terphenyl derivative from the fruiting bodies of basidiomycete Phellodon niger Chemical and Pharmaceutical Bulletin 2010 58 (9) 1176-1179. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.58.1176 | PMID | 20823596 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC[C@H](C)C1=C(O)[N@+]2([O-])OC3:C:C:C(C4:C(OC(C)=O):C(OC(C)=O):C(C5:C:C:C(O):C:C:5):C(OC(C)=O):C:4OC(C)=O):C:C:3O[C@]2([C@@H](C)CC)C(=O)N1OC | Fang, Sheng-Tao; Zhang, Ling; Li, Zheng-Hui; Li, Bo; Liu, Ji-Kai Cyathane diterpenoids and nitrogenous terphenyl derivative from the fruiting bodies of basidiomycete Phellodon niger Chemical and Pharmaceutical Bulletin 2010 58 (9) 1176-1179. DOI: 10.1248/cpb.58.1176 PMID: 20823596 | ||
| 2 | CC[C@H](C)/C(=N/OC)C(=O)N(O)C1([C@@H](C)CC)OC2=C(C=CC(C3=C(OC(C)=O)C(OC(C)=O)=C(C4=CC=C(O)C=C4)C(OC(C)=O)=C3OC(C)=O)=C2)OC1=O | Usui, Ippei; Lin, David W; Masuda, Takeshi; Baran, Phil S Convergent synthesis and structural confirmation of phellodonin and sarcodonin ε. Organic Letters 2013 15 (9) 2080-3. DOI: 10.1021/ol400709f PMID: 23577748 | ||
