Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022702
PROPERTIES
| NPAID | NPA022702 |
|---|---|
| CLUSTER ID | 6973 |
| NODE ID | 4808 |
| NAME | Hinduchelin A |
| FORMULA | C21H22N2O5 |
| MOLECULAR WEIGHT (Da) | 382.4160 |
| ACCURATE MASS (Da) | 382.1529 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptoalloteichus |
| ORIGIN SPECIES | hindustanus |
| InChIKey | XLYCPINEMIZSEN-INIZCTEOSA-N |
| InChI | InChI=1S/C21H22N2O5/c1-13-18(20(25)22-12-16(24)14-8-5-4-6-9-14)23-21(28-13)15-10-7-11-17(26-2)19(15)27-3/h4-11,16,24H,12H2,1-3H3,(H,22,25)/t16-/m0/s1 |
| SMILES | COC1=CC=CC(C2=NC(C(=O)NC[C@H](O)C3=CC=CC=C3)=C(C)O2)=C1OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | He, Fei; Nakamura, Hitomi; Hoshino, Shotaro; Fong Chin, Joyce Seow; Yang, Liang; Zhang, Huiping; Hayashi, Fumiaki; Abe, Ikuro Hinduchelins A-D, Noncytotoxic Catechol Derivatives from Streptoalloteichus hindustanus Journal of Natural Products 2018 81 (6) 1493-1496. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00049 | PMID | 29792433 |
SYNTHESES
| CITATION 1 | Childress ES; Garrison AT; Sheldon JR; Skaar EP; Lindsley CW Total Synthesis of Hinduchelins A-D, Stereochemical Revision of Hinduchelin A, and Biological Evaluation of Natural and Unnatural Analogues. Journal of Organic Chemistry 2019 84 (10) 6459-6464. DOI: 10.1021/acs.joc.9b00391 PMID: 31039303 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1=C(N=C(O1)C2=C(C(=CC=C2)OC)OC)C(=O)NC[C@H](C3=CC=CC=C3)O | He, Fei; Nakamura, Hitomi; Hoshino, Shotaro; Fong Chin, Joyce Seow; Yang, Liang; Zhang, Huiping; Hayashi, Fumiaki; Abe, Ikuro Hinduchelins A-D, Noncytotoxic Catechol Derivatives from Streptoalloteichus hindustanus Journal of Natural Products 2018 81 (6) 1493-1496. DOI: 10.1021/acs.jnatprod.8b00049 PMID: 29792433 | ||
| 2 | COC1=CC=CC(C2=NC(C(=O)NC[C@H](O)C3=CC=CC=C3)=C(C)O2)=C1OC | Childress ES; Garrison AT; Sheldon JR; Skaar EP; Lindsley CW Total Synthesis of Hinduchelins A-D, Stereochemical Revision of Hinduchelin A, and Biological Evaluation of Natural and Unnatural Analogues. Journal of Organic Chemistry 2019 84 (10) 6459-6464. DOI: 10.1021/acs.joc.9b00391 PMID: 31039303 | ||
