Kutzneride 2
AlkaPlorer ID: AK058630
Synonym: 'Kutzneride 2', 'Kutzneride 8'
IUPAC Name: (3R)-3-[(1S,4R,7S,12R,14S,17S,20R,23S,31R)-7-tert-butyl-12,26,27-trichloro-31-hydroxy-17-(methoxymethyl)-4-(1-methylcyclopropyl)-2,5,8,15,18,21-hexaoxo-6-oxa-3,9,10,16,19,22,24-heptazapentacyclo[20.10.0.09,14.023,31.025,30]dotriaconta-25(30),26,28-trien-20-yl]-3-hydroxypropanoic acid
Structure
SMILES: COC[C@@H]1NC(=O)[C@@H]2C[C@@H](Cl)CNN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)NC(=O)[C@@H]2C[C@@]3(O)C4=CC=C(Cl)C(Cl)=C4N[C@H]3N2C(=O)[C@@H]([C@H](O)CC(=O)O)NC1=O
InChI: InChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15-,18+,19+,20+,21-,25-,26+,27-,34+,37-/m1/s1
InChIKey: GOUIVYIRLLTNCF-HDJMJMBUSA-N
Reference
Low-Abundance Kutznerides from <i>Kutzneria</i> sp. 744
PubChem CID: 44566399
LOTUS: LTS0080205
NPASS: NPC473702
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 889.1870000000002
TPSA？: 265.27
MolLogP？: -0.0455999999999925
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Drechslera | Drechslera | MIC | 230000.0 | nM | 10.1021/np0604331 |
| Fusarium culmorum | Fusarium culmorum | MIC | 110000.0 | nM | 10.1021/np0604331 |
| Pectobacterium carotovorum | Pectobacterium carotovorum | MIC | 6000.0 | nM | 10.1021/np0604331 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6000.0 | nM | 10.1021/np0604331 |