Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001644 | Gold | 1 |
| CCMSLIB00000577646 | Gold | 3 |
COMPOUND NPA027334
PROPERTIES
| NPAID | NPA027334 |
|---|---|
| CLUSTER ID | 2729 |
| NODE ID | 2115 |
| NAME | Dolastatin 10 |
| FORMULA | C42H68N6O6S |
| MOLECULAR WEIGHT (Da) | 785.1090 |
| ACCURATE MASS (Da) | 784.4921 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Symploca |
| ORIGIN SPECIES | sp. VP642 |
| InChIKey | OFDNQWIFNXBECV-VFSYNPLYSA-N |
| InChI | InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luesch H; Moore RE; Paul VJ; Mooberry SL; Corbett TH Isolation of dolastatin 10 from the marine cyanobacterium Symploca species VP642 and total stereochemistry and biological evaluation of its analogue symplostatin 1. Journal of Natural Products 2001 64 (7) 907-910. | ||
|---|---|---|---|
| DOI | 10.1021/np010049y | PMID | 11473421 |
