Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000079878 | Gold | MLS000863651-01! |
| CCMSLIB00004688966 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004688967 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712808 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712809 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712810 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712811 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712812 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712813 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712814 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712815 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712816 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712817 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712818 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712819 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712820 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712821 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
| CCMSLIB00004712822 | Bronze | (2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0�,?.0?,��.0?,��.0�?,��.0�?,��]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one |
COMPOUND NPA008621
PROPERTIES
| NPAID | NPA008621 |
|---|---|
| CLUSTER ID | 71 |
| NODE ID | 66 |
| NAME | Communesin B |
| FORMULA | C32H35N3O3 |
| MOLECULAR WEIGHT (Da) | 509.6500 |
| ACCURATE MASS (Da) | 509.2678 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | JUJWEIXETZAVGA-KHGOLEPFSA-N |
| InChI | InChI=1S/C32H35N3O3/c1-5-6-7-15-24(36)34-18-16-31-21-12-8-9-14-23(21)37-29-32(31)17-19-35(28(31)34)26(27-30(2,3)38-27)20-11-10-13-22(25(20)32)33(29)4/h5-15,26-29H,16-19H2,1-4H3/b6-5+,15-7+/t26-,27+,28+,29-,31-,32-/m0/s1 |
| SMILES | C/C=C/C=C/C(=O)N1CC[C@@]23C4=CC=CC=C4O[C@@H]4N(C)C5=CC=CC6=C5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Numata, Atsushi; Takahashi, Chika; Ito, Yoshinori; Takada, Tamie; Kawai, Kenzo; et al. COMMUNESINS, CYTOTOXIC METABOLITES OF A FUNGUS ISOLATED FROM A MARINE ALGA Tetrahedron Letters 1993 34 (14) 2355-2358. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)77612-x | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C/C=C/C=C/C(=O)N1CC[C@]23[C@H]1N4CC[C@]25[C@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@H]4C8C(O8)(C)C)C | Numata, Atsushi; Takahashi, Chika; Ito, Yoshinori; Takada, Tamie; Kawai, Kenzo; et al. COMMUNESINS, CYTOTOXIC METABOLITES OF A FUNGUS ISOLATED FROM A MARINE ALGA Tetrahedron Letters 1993 34 (14) 2355-2358. DOI: 10.1016/s0040-4039(00)77612-x | ||
| 2 | C/C=C/C=C/C(=O)N1CC[C@@]23C4=CC=CC=C4O[C@@H]4N(C)C5=CC=CC6=C5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C | May, Jeremy A.; Zeidan, Ryan K.; Stoltz, Brian M. Biomimetic approach to communesin B (a.k.a. nomofungin) Tetrahedron Letters 2003 44 (6) 1203-1205. DOI: 10.1016/S0040-4039(02)02790-9 | ||
