Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000192
PROPERTIES
| NPAID | NPA000192 |
|---|---|
| CLUSTER ID | 158 |
| NODE ID | 149 |
| NAME | Kigamicin A |
| FORMULA | C34H35NO13 |
| MOLECULAR WEIGHT (Da) | 665.6480 |
| ACCURATE MASS (Da) | 665.2108 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | sp. ML630-mF1 |
| InChIKey | SERZVTAEVZZGKX-ZQZXSKFPSA-N |
| InChI | InChI=1S/C34H35NO13/c1-12-15(36)3-4-19(46-12)47-18-9-16(37)22-28(40)25-29(41)24-20-13(7-14-10-34(2)35(5-6-45-34)33(42)21(14)27(20)39)8-17-23(24)31(44-11-43-17)32(25)48-30(22)26(18)38/h7,12,15-19,26,36-39,41H,3-6,8-11H2,1-2H3/t12-,15+,16+,17-,18+,19+,26+,34?/m1/s1 |
| SMILES | C[C@H]1O[C@@H](O[C@H]2C[C@H](O)C3=C(OC4=C5OCO[C@@H]6CC7=CC8=C(C(=O)N9CCOC9(C)C8)C(O)=C7C(=C56)C(O)=C4C3=O)[C@H]2O)CC[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kunimoto, Setsuko; Lu, Jie; Esumi, Hiroyasu; Yamazaki, Yohko; Kinoshita, Naoko; Honma, Yoshiko; Hamada, Masa; Ohsono, Michiyo; Ishizuka, Masaaki; Takeuchi, Tomio Kigamicins, novel antitumor antibiotics. I. Taxonomy, isolation, physico-chemical properties and biological activities Journal of Antibiotics 2003 56 (12) 1004-1011. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.56.1004 | PMID | 15015727 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1C(CCC(O1)OC2CC(C3=C(C2O)OC4=C(C3=O)C(=C5C6=C4OCOC6CC7=CC8=C(C(=C75)O)C(=O)N9CCOC9(C8)C)O)O)O | Kunimoto, Setsuko; Lu, Jie; Esumi, Hiroyasu; Yamazaki, Yohko; Kinoshita, Naoko; Honma, Yoshiko; Hamada, Masa; Ohsono, Michiyo; Ishizuka, Masaaki; Takeuchi, Tomio Kigamicins, novel antitumor antibiotics. I. Taxonomy, isolation, physico-chemical properties and biological activities Journal of Antibiotics 2003 56 (12) 1004-1011. DOI: 10.7164/antibiotics.56.1004 PMID: 15015727 | ||
| 2 | C[C@H]1O[C@@H](O[C@H]2C[C@H](O)C3=C(OC4=C5OCO[C@@H]6CC7=CC8=C(C(=O)N9CCOC9(C)C8)C(O)=C7C(=C56)C(O)=C4C3=O)[C@H]2O)CC[C@@H]1O | Ma, Ai-Jun; Ready, Joseph M Synthetic Studies on the Kigamicins. Organic Letters 2019 21 (4) 1148-1151. DOI: 10.1021/acs.orglett.9b00098 PMID: 30714741 | ||
