Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020192
PROPERTIES
| NPAID | NPA020192 |
|---|---|
| CLUSTER ID | 6406 |
| NODE ID | 1250 |
| NAME | Haenamindole |
| FORMULA | C29H28N4O5 |
| MOLECULAR WEIGHT (Da) | 512.5660 |
| ACCURATE MASS (Da) | 512.2060 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. KCB12F005 |
| InChIKey | IAICBPZDIBCDOH-RHSHIPIZSA-N |
| InChI | InChI=1S/C29H28N4O5/c34-25-16-21(19-11-5-2-6-12-19)31-28-29(37,20-13-7-8-14-23(20)32(25)28)17-24-26(35)30-22(27(36)33(24)38)15-18-9-3-1-4-10-18/h1-14,21-22,24,28,31,37-38H,15-17H2,(H,30,35)/t21-,22+,24+,28+,29+/m0/s1 |
| SMILES | O=C1N[C@H](CC2=CC=CC=C2)C(=O)N(O)[C@@H]1C[C@@]1(O)C2=CC=CC=C2N2C(=O)C[C@@H](C3=CC=CC=C3)N[C@H]21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kim, Jong Won; Ko, Sung-Kyun; Son, Sangkeun; Shin, Kee-Sun; Ryoo, In-Ja; Hong, Young-Soo; Oh, Hyuncheol; Hwang, Bang Yeon; Hirota, Hiroshi; Takahashi, Shunji; Kim, Bo Yeon; Osada, Hiroyuki; Jang, Jae-Hyuk; Ahn, Jong Seog Haenamindole, an unusual diketopiperazine derivative from a marine-derived Penicillium sp. KCB12F005 Bioorganic and Medicinal Chemistry Letters 2015 25 (22) 5398-5401. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2015.09.026 | PMID | 26403931 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@]1([C@@H]2N[C@@H](CC(=O)N2C3=CC=CC=C31)C4=CC=CC=C4)C[C@@H]5C(=O)N[C@H](C(=O)N5O)CC6CCCCC6 | Kim, Jong Won; Ko, Sung-Kyun; Son, Sangkeun; Shin, Kee-Sun; Ryoo, In-Ja; Hong, Young-Soo; Oh, Hyuncheol; Hwang, Bang Yeon; Hirota, Hiroshi; Takahashi, Shunji; Kim, Bo Yeon; Osada, Hiroyuki; Jang, Jae-Hyuk; Ahn, Jong Seog Haenamindole, an unusual diketopiperazine derivative from a marine-derived Penicillium sp. KCB12F005 Bioorganic and Medicinal Chemistry Letters 2015 25 (22) 5398-5401. DOI: 10.1016/j.bmcl.2015.09.026 PMID: 26403931 | ||
| 2 | O=C1N[C@H](CC2=CC=CC=C2)C(=O)N(O)[C@@H]1C[C@@]1(O)C2=CC=CC=C2N2C(=O)C[C@@H](C3=CC=CC=C3)N[C@H]21 | Song, Fuhang; He, Hongtao; Ma, Rong; Xiao, Xue; Wei, Qi; Wang, Qinqin; Ji, Zengchun; Dai, Huanqin; Zhang, Lixin; Capon, Robert J. Structure revision of the Penicillium alkaloids haenamindole and citreoindole Tetrahedron Letters 2016 57 (34) 3851-3852. DOI: 10.1016/j.tetlet.2016.07.049 | ||
