| Name |
Pedunculagin |
| Formula |
C34H24O22 |
| Mw |
784.07592246 |
| CAS RN |
7045-42-3 |
| C_ID |
C00002932
, 
|
| InChIKey |
IYMHVUYNBVWXKH-KYTJPBAANA-N |
| InChICode |
InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34-/m1/s1 |
| SMILES |
[C@H]12[C@H]3[C@H]([C@@H](O[C@@H]1COC(=O)c1cc(c(c(c1c1c(c(c(cc1C(=O)O2)O)O)O)O)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O3)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Casuarinaceae | Casuarina sticta | Ref. |
| Plantae | Casuarinaceae | Casuarina stricta | Ref. |
| Plantae | Fagaceae | Quercus spp. | Ref. |
| Plantae | Juglandaceae | Juglans regia  | Ref. |
| Plantae | Juglandaceae | Juglans spp. | Ref. |
| Plantae | Lythraceae | Punica granatum | Ref. |
| Plantae | Melastomataceae | Bredia tuberuculata | Ref. |
| Plantae | Melastomataceae | Monochaetum malabathuricum | Ref. |
| Plantae | Melastomataceae | Monochaetum multiflorum | Ref. |
| Plantae | Melastomataceae | Monochaetum normale | Ref. |
| Plantae | Melastomataceae | Tibouchina multiflora | Ref. |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
| Plantae | Myrtaceae | Kunzea ambigua | Ref. |
| Plantae | Myrtaceae | Rhodomyrtus tomentosa | Ref. |
| Plantae | Nymphaeaceae | Nymphaea alba | Ref. |
| Plantae | Paeoniaceae | Paeonia albiflora | Ref. |
| Plantae | Rosaceae | Geum japonicum | Ref. |
| Plantae | Rosaceae | Potentilla sp. | Ref. |
| Plantae | Rosaceae | Rubus spp. | Ref. |
| Plantae | Stachyuraceae | Stachyurus praecox | Ref. |
| Plantae | Theaceae | Camellia japonica | Ref. |
|
|
zoom in
| Organism | Casuarina stricta |
|---|
| Reference | Liu, et al., NPRD, 10, (1998), 14.
Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).
Fukuda, et al., Phytochemistry, 63, (2003), 795.
Tanaka, et al., JNP, 66, (2003), 759
Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter45 |
|---|
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