Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018328
PROPERTIES
NPAID | NPA018328 |
---|---|
CLUSTER ID | 69 |
NODE ID | 64 |
NAME | Inonotsuoxide A |
FORMULA | C30H50O3 |
MOLECULAR WEIGHT (Da) | 458.7270 |
ACCURATE MASS (Da) | 458.3760 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Inonotus |
ORIGIN SPECIES | obliquus |
InChIKey | DEFBHVGGCIFMGI-SAGOZZNJSA-N |
InChI | InChI=1S/C30H50O3/c1-18(22-17-25(32)27(4,5)33-22)19-11-15-30(8)21-9-10-23-26(2,3)24(31)13-14-28(23,6)20(21)12-16-29(19,30)7/h18-19,22-25,31-32H,9-17H2,1-8H3/t18-,19+,22+,23-,24-,25-,28+,29+,30-/m0/s1 |
SMILES | C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@H]5C[C@@H](C(O5)(C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Nakata, Tomoko; Yamada, Takeshi; Taji, Sayaka; Ohishi, Hirofumi; Wada, Shun-Ichi; Tokuda, Harukuni; Sakuma, Kazuo; Tanaka, Reiko Structure determination of inonotsuoxides A and B and in vivo anti-tumor promoting activity of inotodiol from the sclerotia of Inonotus obliquus. Bioorganic and Medicinal Chemistry 2007 15 (1) 257-264. | ||
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DOI | 10.1016/j.bmc.2006.09.064 | PMID | 17049251 |