Kedarcidin
AlkaPlorer ID: AK326378
Synonym: None
IUPAC Name: N-[(15E)-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-10-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)=NC3CC4=CC=C(OC5C=C6C#C/C(=C\C#CC7OC67C5OC5CC(C)(O)C(O)C(C)O5)C(OC5CC(O)C(N(C)C)C(C)O5)COC3=O)C(Cl)=N4)=CC2=C1OC
InChI: InChI=1S/C53H60ClN3O16/c1-25(2)67-38-18-29-17-35(58)33(21-32(29)45(64-8)46(38)65-9)50(61)56-34-20-31-15-16-37(49(54)55-31)70-39-19-30-14-13-28(40(24-66-51(34)62)71-42-22-36(59)44(57(6)7)26(3)68-42)11-10-12-41-53(30,73-41)48(39)72-43-23-52(5,63)47(60)27(4)69-43/h11,15-19,21,25-27,34,36,39-44,47-48,58-60,63H,20,22-24H2,1-9H3,(H,56,61)/b28-11+
InChIKey: GFTRTMUGNRZABD-IPBVOBEMSA-N
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？: 242.31
MolLogP？: 4.085900000000004
Number of H-Donors: 5
Number of H-Acceptors: 18
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|