Kedarcidin
AlkaPlorer ID: AK303541
Synonym: None
IUPAC Name: N-[6-chloro-24-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-14-[5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-11-oxo-4,12,20-trioxa-7-azapentacyclo[13.6.2.25,8.13,21.019,21]hexacosa-1,5,7,15,25-pentaen-17,22-diyn-9-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide
Structure
SMILES: COC1=C(OC(C)C)C=C2C=C(O)C(C(=O)NC3CC(=O)OCC(OC4CC(O)C(N(C)C)C(C)O4)C4=CC#CC5OC56C(=CC(OC5=CC=C3N=C5Cl)C6OC3CC(C)(O)C(O)C(C)O3)C#C4)=CC2=C1OC
InChI: InChI=1S/C53H60ClN3O16/c1-25(2)67-38-18-29-17-35(58)32(20-31(29)46(64-8)47(38)65-9)51(62)56-34-21-42(60)66-24-40(71-43-22-36(59)45(57(6)7)26(3)68-43)28-11-10-12-41-53(73-41)30(14-13-28)19-39(70-37-16-15-33(34)55-50(37)54)49(53)72-44-23-52(5,63)48(61)27(4)69-44/h11,15-20,25-27,34,36,39-41,43-45,48-49,58-59,61,63H,21-24H2,1-9H3,(H,56,62)
InChIKey: RSXFZXJOBQZOOM-UHFFFAOYSA-N
Reference
CAS: 128512-39-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus sp. | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1030.521
TPSA？: 238.8199999999999
MolLogP？: 4.031200000000004
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|