Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011259
PROPERTIES
| NPAID | NPA011259 |
|---|---|
| CLUSTER ID | 4379 |
| NODE ID | 839 |
| NAME | Pseudodeflectusin |
| FORMULA | C15H16O4 |
| MOLECULAR WEIGHT (Da) | 260.2890 |
| ACCURATE MASS (Da) | 260.1049 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | pseudodeflectus |
| InChIKey | LSQCSEQTJDZMSO-GLEZIHRCSA-N |
| InChI | InChI=1S/C15H16O4/c1-7(2)13-12(16)10-5-4-9-6-8(3)18-15(17)11(9)14(10)19-13/h4-5,8,15,17H,6H2,1-3H3/t8-,15+/m1/s1 |
| SMILES | CC(C)=C1OC2=C(C=CC3=C2[C@@H](O)O[C@H](C)C3)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ogawa, Akitsu; Murakami, Chikako; Kamisuki, Shinji; Kuriyama, Isoko; Yoshida, Hiromi; Sugawara, Fumio; Mizushina, Yoshiyuki Pseudodeflectusin, a novel isochroman derivative from Aspergillus pseudodeflectus a parasite of the sea weed, Sargassum fusiform, as a selective human cancer cytotoxin Bioorganic and Medicinal Chemistry Letters 2004 14 (13) 3539-3543. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2004.04.050 | PMID | 15177469 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1CC2=C(C(O1)O)C3=C(C=C2)C(=O)C(=C(C)C)O3 | Ogawa, Akitsu; Murakami, Chikako; Kamisuki, Shinji; Kuriyama, Isoko; Yoshida, Hiromi; Sugawara, Fumio; Mizushina, Yoshiyuki Pseudodeflectusin, a novel isochroman derivative from Aspergillus pseudodeflectus a parasite of the sea weed, Sargassum fusiform, as a selective human cancer cytotoxin Bioorganic and Medicinal Chemistry Letters 2004 14 (13) 3539-3543. DOI: 10.1016/j.bmcl.2004.04.050 PMID: 15177469 | ||
| 2 | CC(C)=C1OC2=C(C=CC3=C2[C@@H](O)O[C@H](C)C3)C1=O | Kuramochi, Kouji; Tsubaki, Kazunori; Kuriyama, Isoko; Mizushina, Yoshiyuki; Yoshida, Hiromi; Takeuchi, Toshifumi; Kamisuki, Shinji; Sugawara, Fumio; Kobayashi, Susumu Synthesis, structure, and cytotoxicity studies of some fungal isochromanes. Journal of Natural Products 2013 76 (9) 1737-45. DOI: 10.1021/np400460m PMID: 24033077 | ||
