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 |
O=C1OC2C(O)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Casuarinaceae | Casuarina sticta | Ref. |
Plantae | Casuarinaceae | Casuarina stricta | Ref. |
Plantae | Cornaceae | Camptotheca acuminata | Ref. |
Plantae | Fagaceae | Castanea sativa | 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 | Psidium guajava | Ref. |
Plantae | Myrtaceae | Rhodomyrtus tomentosa | Ref. |
Plantae | Nymphaeaceae | Nymphaea alba | Ref. |
Plantae | Paeoniaceae | Paeonia albiflora | Ref. |
Plantae | Phyllanthaceae | Phyllanthus niruri | 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. |
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zoom in
Organism | Rhodomyrtus tomentosa | 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 |
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