Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA009535
PROPERTIES
NPAID | NPA009535 |
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CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Hericerin |
FORMULA | C27H33NO3 |
MOLECULAR WEIGHT (Da) | 419.5650 |
ACCURATE MASS (Da) | 419.2460 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Hericium |
ORIGIN SPECIES | erinaceum |
InChIKey | AYUFSIRZXDWSDR-DEDYPNTBSA-N |
InChI | InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-22-25(31-4)17-23-24(26(22)29)18-28(27(23)30)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13+ |
SMILES | COC1=C(C/C=C(\C)CCC=C(C)C)C(O)=C2CN(CCC3=CC=CC=C3)C(=O)C2=C1 |
ORIGINAL ISOLATION REFERENCE
CITATION | Kimura, Yasuo; Nishibe, Masahiko; Nakajima, Hiromitsu; Hamasaki, Takashi; Shimada, Atsumi; Tsuneda, Akihiko; Shigematsu, Norihiro Hericerin, a new pollen growth inhibitor from the mushroom Hericium erinaceum Agricultural and Biological Chemistry 1991 55 (10) 2673-2674. | ||
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DOI | 10.1080/00021369.1991.10870996 | PMID | - |
SYNTHESES
CITATION 1 | Kobayashi S; Inoue T; Ando A; Tamanoi H; Ryu I; Masuyama A Total synthesis and structural revision of hericerin. Journal of Organic Chemistry 2012 77 (13) 5819-22. DOI: 10.1021/jo300719m PMID: 22670711 |
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REVISIONS
VERSION | SMILES | CITATION | ||
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Original Isolation | CC(=CCC/C(=C/CC1=C(C=C2CN(C(=O)C2=C1O)CCC3=CC=CC=C3)OC)/C)C | Kimura, Yasuo; Nishibe, Masahiko; Nakajima, Hiromitsu; Hamasaki, Takashi; Shimada, Atsumi; Tsuneda, Akihiko; Shigematsu, Norihiro Hericerin, a new pollen growth inhibitor from the mushroom Hericium erinaceum Agricultural and Biological Chemistry 1991 55 (10) 2673-2674. DOI: 10.1080/00021369.1991.10870996 | ||
2 | COC1=C(C/C=C(\C)CCC=C(C)C)C(O)=C2CN(CCC3=CC=CC=C3)C(=O)C2=C1 | Kobayashi S; Inoue T; Ando A; Tamanoi H; Ryu I; Masuyama A Total synthesis and structural revision of hericerin. Journal of Organic Chemistry 2012 77 (13) 5819-22. DOI: 10.1021/jo300719m PMID: 22670711 |