Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011213
PROPERTIES
| NPAID | NPA011213 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Hericenone B |
| FORMULA | C27H31NO4 |
| MOLECULAR WEIGHT (Da) | 433.5480 |
| ACCURATE MASS (Da) | 433.2253 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hericium |
| ORIGIN SPECIES | erinaceus |
| InChIKey | AAXHHISTDMILPL-VXLYETTFSA-N |
| InChI | InChI=1S/C27H31NO4/c1-18(2)14-21(29)15-19(3)10-11-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+ |
| SMILES | COC1=C(C/C=C(\C)CC(=O)C=C(C)C)C(O)=C2CN(CCC3=CC=CC=C3)C(=O)C2=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kawagishi, Hirokazu; Ando, Motoharu; Mizuno, Takashi Hericenone A and B as cytotoxic principles from the mushroom Hericium erinaceum Tetrahedron Letters 1990 31 (3) 373-376. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)94558-1 | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(=CC(=O)C/C(=C/CC1=C(C=C2CN(C(=O)C2=C1O)CCC3=CC=CC=C3)OC)/C)C | Kawagishi, Hirokazu; Ando, Motoharu; Mizuno, Takashi Hericenone A and B as cytotoxic principles from the mushroom Hericium erinaceum Tetrahedron Letters 1990 31 (3) 373-376. DOI: 10.1016/s0040-4039(00)94558-1 | ||
| 2 | COC1=C(C/C=C(\C)CC(=O)C=C(C)C)C(O)=C2CN(CCC3=CC=CC=C3)C(=O)C2=C1 | Kobayashi, Shoji; Tamanoi, Hidetsugu; Hasegawa, Yuichi; Segawa, Yusuke; Masuyama, Araki Divergent synthesis of bioactive resorcinols isolated from the fruiting bodies of Hericium erinaceum: total syntheses of hericenones A, B, and I, hericenols B-D, and erinacerins A and B. Journal of Organic Chemistry 2014 79 (11) 5227-38. DOI: 10.1021/jo500795z PMID: 24833262 | ||
