Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA007796
PROPERTIES
NPAID | NPA007796 |
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CLUSTER ID | 3436 |
NODE ID | 2597 |
NAME | Cochlearoid A |
FORMULA | C40H48O8 |
MOLECULAR WEIGHT (Da) | 656.8160 |
ACCURATE MASS (Da) | 656.3349 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Ganoderma |
ORIGIN SPECIES | cochlear |
InChIKey | FENJYNMETQOACE-ALVDNQAZSA-N |
InChI | InChI=1S/C40H48O8/c1-24(2)10-8-11-26(5)12-9-13-28(22-46-27(6)41)14-15-29-20-30(42)21-31-35-33(43)16-17-34-36(35)40(48-37(29)31)23-39(47-34,38(44)45-7)19-18-32(40)25(3)4/h10,12,14,16-17,20-21,32,42-43H,3,8-9,11,13,15,18-19,22-23H2,1-2,4-7H3/b26-12+,28-14-/t32-,39-,40+/m0/s1 |
SMILES | CC(=CCC/C(=C/CC/C(=C/CC1=C2C(=CC(=C1)O)C3=C(C=CC4=C3[C@@]5(O2)C[C@@](O4)(CC[C@H]5C(=C)C)C(=O)OC)O)/COC(=O)C)/C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Zhou, Feng-Jiao; Nian, Yin; Yan, Yongming; Gong, Ye; Luo, Qi; Zhang, Yu; Hou, Bo; Zuo, Zhi-Li; Wang, Shu-Mei; Jiang, He-Hai; Yang, Jian; Cheng, Yong-Xian Two New Classes of T-Type Calcium Channel Inhibitors with New Chemical Scaffolds from Ganoderma cochlear Organic Letters 2015 17 (12) 3082-3085. | ||
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DOI | 10.1021/acs.orglett.5b01353 | PMID | 26024438 |